[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone

C19H22N2O2 — CID 95587198

IUPAC[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
SMILESCc1cc([C@H]2CCCN2C(=O)C2CC(c3ccccc3)C2)no1
InChIInChI=1S/C19H22N2O2/c1-13-10-17(20-23-13)18-8-5-9-21(18)19(22)16-11-15(12-16)14-6-3-2-4-7-14/h2-4,6-7,10,15-16,18H,5,8-9,11-12H2,1H3/t15?,16?,18-/m1/s1
InChIKeyOWBNHADBAJPNOV-LEOMRAHMSA-N
MW310.40 g/mol
LogP3.84
Rot. Bonds3

About [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone

[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone (PubChem CID 95587198) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
PubChem CID95587198
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
SMILESCc1cc([C@H]2CCCN2C(=O)C2CC(c3ccccc3)C2)no1
InChIInChI=1S/C19H22N2O2/c1-13-10-17(20-23-13)18-8-5-9-21(18)19(22)16-11-15(12-16)14-6-3-2-4-7-14/h2-4,6-7,10,15-16,18H,5,8-9,11-12H2,1H3/t15?,16?,18-/m1/s1
InChIKeyOWBNHADBAJPNOV-LEOMRAHMSA-N
XLogP3.84
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 124816489
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040955
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97277737
tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42948503
2-[benzyl(methyl)amino]-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 51097378
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone
CID 135099100
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126441910

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone?
The IUPAC name of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone (CID 95587198) is [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone.
What is the SMILES notation for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone?
The canonical SMILES for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone is Cc1cc([C@H]2CCCN2C(=O)C2CC(c3ccccc3)C2)no1.
What is the InChIKey of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone?
The InChIKey is OWBNHADBAJPNOV-LEOMRAHMSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-10-17(20-23-13)18-8-5-9-21(18)19(22)16-11-15(12-16)14-6-3-2-4-7-14/h2-4,6-7,10,15-16,18H,5,8-9,11-12H2,1H3/t15?,16?,18-/m1/s1.
What are the key properties of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone?
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone is sourced from PubChem (CID 95587198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).