(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone

C19H18N2O2 — CID 154872305

IUPAC(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1noc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc12
InChIInChI=1S/C19H18N2O2/c1-13-17-8-7-15(11-18(17)23-20-13)19(22)21-10-9-16(12-21)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3
InChIKeyUNCMQTHIMGPJCO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.77
Rot. Bonds2

About (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone

(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 154872305) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID154872305
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1noc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc12
InChIInChI=1S/C19H18N2O2/c1-13-17-8-7-15(11-18(17)23-20-13)19(22)21-10-9-16(12-21)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3
InChIKeyUNCMQTHIMGPJCO-UHFFFAOYSA-N
XLogP3.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 15986673
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497
(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473776
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 154872305) is (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone is Cc1noc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc12.
What is the InChIKey of (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is UNCMQTHIMGPJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-17-8-7-15(11-18(17)23-20-13)19(22)21-10-9-16(12-21)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3.
What are the key properties of (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 154872305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).