1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

C20H21N3O3 — CID 133307057

IUPAC1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C20H21N3O3/c1-13-9-10-17(25-2)15(12-13)21-19(24)16-7-5-11-23(16)20-22-14-6-3-4-8-18(14)26-20/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3,(H,21,24)
InChIKeyOSDUIYIETIKQBW-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.75
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 133307057) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID133307057
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C20H21N3O3/c1-13-9-10-17(25-2)15(12-13)21-19(24)16-7-5-11-23(16)20-22-14-6-3-4-8-18(14)26-20/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3,(H,21,24)
InChIKeyOSDUIYIETIKQBW-UHFFFAOYSA-N
XLogP3.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(2-bromophenyl)pyrrolidine-2-carboxamide
CID 71809846
N-(2-methoxy-5-methylphenyl)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 133307081
(2S)-1-(1,3-benzoxazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124759150
N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 154753041
N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133307077
(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 97427914
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 134010957
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
diethyl 2-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propanedioate
CID 99903586
1-(1,3-benzoxazol-2-yl)-N-[3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 126850565
[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 97427940
1-(1,3-benzoxazol-2-yl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 78887350

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (CID 133307057) is 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN1c1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OSDUIYIETIKQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-9-10-17(25-2)15(12-13)21-19(24)16-7-5-11-23(16)20-22-14-6-3-4-8-18(14)26-20/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3,(H,21,24).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 133307057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).