(4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C31H35N5O3 — CID 167171473

IUPAC(4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1c(C(C)C)noc1-c1ccc(-c2ccc([C@H](C)Nc3cncc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1
InChIInChI=1S/C31H35N5O3/c1-18(2)26-17-38-31(37)36(26)28-16-32-15-27(34-28)33-21(6)22-7-9-23(10-8-22)24-11-13-25(14-12-24)30-20(5)29(19(3)4)35-39-30/h7-16,18-19,21,26H,17H2,1-6H3,(H,33,34)/t21-,26+/m0/s1
InChIKeyOKWYUXKUSJFAOA-HFZDXXHNSA-N
MW525.65 g/mol
LogP7.38
Rot. Bonds8

About (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 167171473) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID167171473
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC Name(4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1c(C(C)C)noc1-c1ccc(-c2ccc([C@H](C)Nc3cncc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1
InChIInChI=1S/C31H35N5O3/c1-18(2)26-17-38-31(37)36(26)28-16-32-15-27(34-28)33-21(6)22-7-9-23(10-8-22)24-11-13-25(14-12-24)30-20(5)29(19(3)4)35-39-30/h7-16,18-19,21,26H,17H2,1-6H3,(H,33,34)/t21-,26+/m0/s1
InChIKeyOKWYUXKUSJFAOA-HFZDXXHNSA-N
XLogP7.38
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-3-[6-[[(1S)-1-[4-(3-tert-butyl-4-fluorophenyl)phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164929007
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273094
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4S)-3-[2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479213
(4S)-3-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490149
(4S)-3-[2-[[(1S)-1-[4-(dimethylamino)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489854
(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
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490063
(4S)-3-[2-[[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730160
(4S)-4-propan-2-yl-3-[2-[1-(4-pyrrol-1-ylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489799
3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123539403

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 167171473) is (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1c(C(C)C)noc1-c1ccc(-c2ccc([C@H](C)Nc3cncc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1.
What is the InChIKey of (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OKWYUXKUSJFAOA-HFZDXXHNSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-18(2)26-17-38-31(37)36(26)28-16-32-15-27(34-28)33-21(6)22-7-9-23(10-8-22)24-11-13-25(14-12-24)30-20(5)29(19(3)4)35-39-30/h7-16,18-19,21,26H,17H2,1-6H3,(H,33,34)/t21-,26+/m0/s1.
What are the key properties of (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 525.65 g/mol, XLogP of 7.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[[(1S)-1-[4-[4-(4-methyl-3-propan-2-yl-1,2-oxazol-5-yl)phenyl]phenyl]ethyl]amino]pyrazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 167171473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).