[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C15H16N2O3 — CID 137321320

IUPAC[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1onc(-c2ccc(O)cc2)c1C(=O)N1CCCC1
InChIInChI=1S/C15H16N2O3/c1-10-13(15(19)17-8-2-3-9-17)14(16-20-10)11-4-6-12(18)7-5-11/h4-7,18H,2-3,8-9H2,1H3
InChIKeyYGVFBAYUNMNMLL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.59
Rot. Bonds2

About [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 137321320) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID137321320
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1onc(-c2ccc(O)cc2)c1C(=O)N1CCCC1
InChIInChI=1S/C15H16N2O3/c1-10-13(15(19)17-8-2-3-9-17)14(16-20-10)11-4-6-12(18)7-5-11/h4-7,18H,2-3,8-9H2,1H3
InChIKeyYGVFBAYUNMNMLL-UHFFFAOYSA-N
XLogP2.59
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 137321320) is [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone is Cc1onc(-c2ccc(O)cc2)c1C(=O)N1CCCC1.
What is the InChIKey of [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YGVFBAYUNMNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-13(15(19)17-8-2-3-9-17)14(16-20-10)11-4-6-12(18)7-5-11/h4-7,18H,2-3,8-9H2,1H3.
What are the key properties of [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 137321320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).