(4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C30H35F3N4O3 — CID 118880462

IUPAC(4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc([C@H]2OC(=O)N(Cc3cc(-c4c(C)noc4C)cnc3N(C)C3CCCCC3)[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C30H35F3N4O3/c1-17-11-21(14-24(12-17)30(31,32)33)27-19(3)37(29(38)39-27)16-23-13-22(26-18(2)35-40-20(26)4)15-34-28(23)36(5)25-9-7-6-8-10-25/h11-15,19,25,27H,6-10,16H2,1-5H3/t19-,27-/m0/s1
InChIKeyUDTHAZSRXWEWDW-PPHZAIPVSA-N
MW556.63 g/mol
LogP7.53
Rot. Bonds6

About (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 118880462) has the molecular formula C30H35F3N4O3 and a molecular weight of 556.63 g/mol. Its IUPAC name is (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID118880462
Molecular FormulaC30H35F3N4O3
Molecular Weight556.63 g/mol
Exact Mass556.27
IUPAC Name(4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc([C@H]2OC(=O)N(Cc3cc(-c4c(C)noc4C)cnc3N(C)C3CCCCC3)[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C30H35F3N4O3/c1-17-11-21(14-24(12-17)30(31,32)33)27-19(3)37(29(38)39-27)16-23-13-22(26-18(2)35-40-20(26)4)15-34-28(23)36(5)25-9-7-6-8-10-25/h11-15,19,25,27H,6-10,16H2,1-5H3/t19-,27-/m0/s1
InChIKeyUDTHAZSRXWEWDW-PPHZAIPVSA-N
XLogP7.53
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[[2-[cyclohexyl(ethyl)amino]-5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880469
(4S,5R)-4-methyl-3-[[5-methyl-2-[methyl(oxan-4-yl)amino]-3-pyridinyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-3-[[5-methyl-2-(oxan-4-ylmethyl)-3-pyridinyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 161436858
5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 123191724
(4S,5R)-3-[[5-bromo-2-[cyclohexyl(ethyl)amino]-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-[cyclohexyl(ethyl)amino]-5-(1-methyltetrazol-5-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 157430696
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[cyclohexyl(ethyl)amino]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 85471475
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[cyclohexyl(ethyl)amino]-5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 85472904
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[cyclohexyl(ethyl)amino]-5-thiophen-3-yl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 85473281
(4S,5R)-3-[[2-[ethyl(thian-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880428
5-[5-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]thiophene-2-carbonitrile
CID 123913612
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(cyclohexylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 85472273
(4S,5R)-3-[[3-(cyclohexylmethyl)pyrazin-2-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 158003063
(4S,5R)-3-[[5-(azetidin-1-yl)-2-[ethyl(oxan-4-yl)amino]-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880448

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 118880462) is (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is Cc1cc([C@H]2OC(=O)N(Cc3cc(-c4c(C)noc4C)cnc3N(C)C3CCCCC3)[C@H]2C)cc(C(F)(F)F)c1.
What is the InChIKey of (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UDTHAZSRXWEWDW-PPHZAIPVSA-N. The full InChI is InChI=1S/C30H35F3N4O3/c1-17-11-21(14-24(12-17)30(31,32)33)27-19(3)37(29(38)39-27)16-23-13-22(26-18(2)35-40-20(26)4)15-34-28(23)36(5)25-9-7-6-8-10-25/h11-15,19,25,27H,6-10,16H2,1-5H3/t19-,27-/m0/s1.
What are the key properties of (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 556.63 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[[2-[cyclohexyl(methyl)amino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118880462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).