(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone

C15H16N2O2 — CID 822394

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCC1
InChIInChI=1S/C15H16N2O2/c1-11-13(15(18)17-9-5-6-10-17)14(16-19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyMXNDTLMGVMFZSU-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.89
Rot. Bonds2

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 822394) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID822394
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCC1
InChIInChI=1S/C15H16N2O2/c1-11-13(15(18)17-9-5-6-10-17)14(16-19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyMXNDTLMGVMFZSU-UHFFFAOYSA-N
XLogP2.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3,5-dimethyl-4-isoxazolylmethyl)phthalimide
CID 135035
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
5-Methyl-3-phenylisoxazole-4-carboxaldehyde
CID 2776144
Mls003170801
CID 332790
1-[(5-Methyl-3-phenylisoxazol-4-yl)carbonyl]-1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one
CID 330502

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone (CID 822394) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCCC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is MXNDTLMGVMFZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-13(15(18)17-9-5-6-10-17)14(16-19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 822394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).