(4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H27N5O2 — CID 146881808

IUPAC(4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(C[C@@H](C)c2ccc(-c3cnn(C)c3)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-15(2)20-14-30-23(29)28(20)22-9-10-24-21(26-22)11-16(3)17-5-7-18(8-6-17)19-12-25-27(4)13-19/h5-10,12-13,15-16,20H,11,14H2,1-4H3/t16-,20-/m1/s1
InChIKeySTQIOMWDNFSRGT-OXQOHEQNSA-N
MW405.50 g/mol
LogP4.20
Rot. Bonds6

About (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 146881808) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID146881808
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(C[C@@H](C)c2ccc(-c3cnn(C)c3)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-15(2)20-14-30-23(29)28(20)22-9-10-24-21(26-22)11-16(3)17-5-7-18(8-6-17)19-12-25-27(4)13-19/h5-10,12-13,15-16,20H,11,14H2,1-4H3/t16-,20-/m1/s1
InChIKeySTQIOMWDNFSRGT-OXQOHEQNSA-N
XLogP4.20
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 158977159
tert-butyl N-[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-N-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]carbamate
CID 90343937
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[(2R)-2-[4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 153084256
3-[2-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 175058879
(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-(hydroxymethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730160
(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-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347644
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-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 146881808) is (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(C[C@@H](C)c2ccc(-c3cnn(C)c3)cc2)n1.
What is the InChIKey of (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is STQIOMWDNFSRGT-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)20-14-30-23(29)28(20)22-9-10-24-21(26-22)11-16(3)17-5-7-18(8-6-17)19-12-25-27(4)13-19/h5-10,12-13,15-16,20H,11,14H2,1-4H3/t16-,20-/m1/s1.
What are the key properties of (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 405.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[(2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 146881808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).