(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

C21H22ClN5O4 — CID 142795160

IUPAC(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
SMILESC[C@H](NCc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)ncn1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C21H22ClN5O4/c1-12(17-8-19(31-26-17)14-3-5-15(22)6-4-14)23-9-16-7-20(25-11-24-16)27-18(13(2)28)10-30-21(27)29/h3-8,11-13,18,23,28H,9-10H2,1-2H3/t12-,13+,18+/m0/s1
InChIKeyIULIBSXEUMHLMV-VEVIJQCQSA-N
MW443.89 g/mol
LogP3.34
Rot. Bonds7

About (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

(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 (PubChem CID 142795160) has the molecular formula C21H22ClN5O4 and a molecular weight of 443.89 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID142795160
Molecular FormulaC21H22ClN5O4
Molecular Weight443.89 g/mol
Exact Mass443.14
IUPAC Name(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
SMILESC[C@H](NCc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)ncn1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C21H22ClN5O4/c1-12(17-8-19(31-26-17)14-3-5-15(22)6-4-14)23-9-16-7-20(25-11-24-16)27-18(13(2)28)10-30-21(27)29/h3-8,11-13,18,23,28H,9-10H2,1-2H3/t12-,13+,18+/m0/s1
InChIKeyIULIBSXEUMHLMV-VEVIJQCQSA-N
XLogP3.34
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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
(4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 147389993
(4R)-3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451991
3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416342
(4R)-3-[2-[[(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416053
3-[2-[[(1S)-1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90415890
(4R)-3-[2-[[(1R)-1-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416752
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
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
CID 135334733
4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415967
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-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451919

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](NCc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)ncn1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of (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?
The InChIKey is IULIBSXEUMHLMV-VEVIJQCQSA-N. The full InChI is InChI=1S/C21H22ClN5O4/c1-12(17-8-19(31-26-17)14-3-5-15(22)6-4-14)23-9-16-7-20(25-11-24-16)27-18(13(2)28)10-30-21(27)29/h3-8,11-13,18,23,28H,9-10H2,1-2H3/t12-,13+,18+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 443.89 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 142795160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).