(4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H28N6O3 — CID 89479565

IUPAC(4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C20H28N6O3/c1-12(2)15-11-28-20(27)26(15)16-9-10-21-19(23-16)22-13(3)18-24-17(25-29-18)14-7-5-4-6-8-14/h9-10,12-15H,4-8,11H2,1-3H3,(H,21,22,23)/t13-,15+/m0/s1
InChIKeyXNDMAXVDBHXLAZ-DZGCQCFKSA-N
MW400.48 g/mol
LogP4.06
Rot. Bonds6

About (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89479565) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89479565
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name(4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C20H28N6O3/c1-12(2)15-11-28-20(27)26(15)16-9-10-21-19(23-16)22-13(3)18-24-17(25-29-18)14-7-5-4-6-8-14/h9-10,12-15H,4-8,11H2,1-3H3,(H,21,22,23)/t13-,15+/m0/s1
InChIKeyXNDMAXVDBHXLAZ-DZGCQCFKSA-N
XLogP4.06
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490067
(4S)-3-[2-[[(1S)-1-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479289
3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89490059
(4S)-3-[2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347626
(4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347629
(4S)-3-[2-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347630
(4S)-3-[2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347631
(4S)-4-propan-2-yl-3-[2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489814
(4S)-3-[2-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489823
(4S)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489837
(4S)-3-[2-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489935
(4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490160

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89479565) is (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(C3CCCCC3)no2)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is XNDMAXVDBHXLAZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-12(2)15-11-28-20(27)26(15)16-9-10-21-19(23-16)22-13(3)18-24-17(25-29-18)14-7-5-4-6-8-14/h9-10,12-15H,4-8,11H2,1-3H3,(H,21,22,23)/t13-,15+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 400.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89479565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).