[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C15H17N3O3 — CID 124878355

IUPAC[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCCC1
InChIInChI=1S/C15H17N3O3/c1-10(19)14-12(15(20)18-7-2-3-8-18)13(17-21-14)11-5-4-6-16-9-11/h4-6,9-10,19H,2-3,7-8H2,1H3/t10-/m0/s1
InChIKeyXQBJSTSAQDRJPX-JTQLQIEISA-N
MW287.32 g/mol
LogP2.03
Rot. Bonds3

About [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124878355) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID124878355
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCCC1
InChIInChI=1S/C15H17N3O3/c1-10(19)14-12(15(20)18-7-2-3-8-18)13(17-21-14)11-5-4-6-16-9-11/h4-6,9-10,19H,2-3,7-8H2,1H3/t10-/m0/s1
InChIKeyXQBJSTSAQDRJPX-JTQLQIEISA-N
XLogP2.03
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162800210
(4-benzylpiperazin-1-yl)-[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]methanone
CID 162800298
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]methanone
CID 124876643
N-cyclopropyl-5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 162800243
[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 100632764
[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878541
[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
CID 162800374
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162800357
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038

Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 124878355) is [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone is C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCCC1.
What is the InChIKey of [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XQBJSTSAQDRJPX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(19)14-12(15(20)18-7-2-3-8-18)13(17-21-14)11-5-4-6-16-9-11/h4-6,9-10,19H,2-3,7-8H2,1H3/t10-/m0/s1.
What are the key properties of [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 287.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124878355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).