1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone

C15H16N2O3 — CID 167761394

IUPAC1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccon1)N1CCC(OCc2ccccc2)C1
InChIInChI=1S/C15H16N2O3/c18-15(14-7-9-20-16-14)17-8-6-13(10-17)19-11-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2
InChIKeySQDHHDFTMRGFGX-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds4

About 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone

1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone (PubChem CID 167761394) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone
PubChem CID167761394
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccon1)N1CCC(OCc2ccccc2)C1
InChIInChI=1S/C15H16N2O3/c18-15(14-7-9-20-16-14)17-8-6-13(10-17)19-11-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2
InChIKeySQDHHDFTMRGFGX-UHFFFAOYSA-N
XLogP2.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74240317
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-(furan-2-yl)methanone
CID 42844110

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone?
The IUPAC name of 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone (CID 167761394) is 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone?
The canonical SMILES for 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone is O=C(c1ccon1)N1CCC(OCc2ccccc2)C1.
What is the InChIKey of 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone?
The InChIKey is SQDHHDFTMRGFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(14-7-9-20-16-14)17-8-6-13(10-17)19-11-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2.
What are the key properties of 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone?
1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone has a molecular weight of 272.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 167761394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).