[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

C13H13N3O3 — CID 97112655

IUPAC[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1C[C@H](O)CO1
InChIInChI=1S/C13H13N3O3/c17-11-7-16(19-8-11)13(18)10-3-1-9(2-4-10)12-5-6-14-15-12/h1-6,11,17H,7-8H2,(H,14,15)/t11-/m0/s1
InChIKeyQAMHDOSJGYNQID-NSHDSACASA-N
MW259.26 g/mol
LogP0.82
Rot. Bonds2

About [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 97112655) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID97112655
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1C[C@H](O)CO1
InChIInChI=1S/C13H13N3O3/c17-11-7-16(19-8-11)13(18)10-3-1-9(2-4-10)12-5-6-14-15-12/h1-6,11,17H,7-8H2,(H,14,15)/t11-/m0/s1
InChIKeyQAMHDOSJGYNQID-NSHDSACASA-N
XLogP0.82
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 135119293
[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 72897730
(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 157019570
4-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 56703692
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 72905498
[(3aS,5R,6R,7aR)-5-[(2,6-dimethyl-3-pyridinyl)oxy]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 172656426
1-piperidin-1-yl-2-[4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-1-yl]ethanone
CID 72935900
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95730053
(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
CID 119070239
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72838770

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 97112655) is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1C[C@H](O)CO1.
What is the InChIKey of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is QAMHDOSJGYNQID-NSHDSACASA-N. The full InChI is InChI=1S/C13H13N3O3/c17-11-7-16(19-8-11)13(18)10-3-1-9(2-4-10)12-5-6-14-15-12/h1-6,11,17H,7-8H2,(H,14,15)/t11-/m0/s1.
What are the key properties of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 259.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 97112655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).