(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one

C21H22ClN5O4 — CID 90454338

IUPAC(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one
SMILESCO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(-c3ccc(Cl)cc3)on2)n1
InChIInChI=1S/C21H22ClN5O4/c1-12(16-10-18(31-26-16)14-4-6-15(22)7-5-14)24-20-23-9-8-19(25-20)27-17(13(2)29-3)11-30-21(27)28/h4-10,12-13,17H,11H2,1-3H3,(H,23,24,25)/t12-,13+,17+/m0/s1
InChIKeyOCQDKNFJFBGAAN-OGHNNQOOSA-N
MW443.89 g/mol
LogP4.32
Rot. Bonds7

About (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90454338) has the molecular formula C21H22ClN5O4 and a molecular weight of 443.89 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one
PubChem CID90454338
Molecular FormulaC21H22ClN5O4
Molecular Weight443.89 g/mol
Exact Mass443.14
IUPAC Name(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one
SMILESCO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(-c3ccc(Cl)cc3)on2)n1
InChIInChI=1S/C21H22ClN5O4/c1-12(16-10-18(31-26-16)14-4-6-15(22)7-5-14)24-20-23-9-8-19(25-20)27-17(13(2)29-3)11-30-21(27)28/h4-10,12-13,17H,11H2,1-3H3,(H,23,24,25)/t12-,13+,17+/m0/s1
InChIKeyOCQDKNFJFBGAAN-OGHNNQOOSA-N
XLogP4.32
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479204
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
tert-butyl N-[(3S)-1-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-5-oxopyrrolidin-3-yl]carbamate
CID 144714274
(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90416198
(4R)-3-[6-[[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]methyl]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 142795160
(4R)-3-[2-[1-[3-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414642
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130274214
(4S)-3-[2-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
4-propan-2-yl-3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 167003976
3-[2-[[(1S)-1-[5-(3-chloro-4-fluorophenoxy)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273504
(4S)-3-[2-[[(1S)-1-(3-chloro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164929002

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one (CID 90454338) is (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one is CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(-c3ccc(Cl)cc3)on2)n1.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is OCQDKNFJFBGAAN-OGHNNQOOSA-N. The full InChI is InChI=1S/C21H22ClN5O4/c1-12(16-10-18(31-26-16)14-4-6-15(22)7-5-14)24-20-23-9-8-19(25-20)27-17(13(2)29-3)11-30-21(27)28/h4-10,12-13,17H,11H2,1-3H3,(H,23,24,25)/t12-,13+,17+/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 443.89 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90454338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).