1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide

C22H21N3O3 — CID 46581440

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)ccc2o1
InChIInChI=1S/C22H21N3O3/c1-13-23-19-11-17(6-8-20(19)28-13)24-22(27)16-10-21(26)25(12-16)18-7-5-14-3-2-4-15(14)9-18/h5-9,11,16H,2-4,10,12H2,1H3,(H,24,27)
InChIKeyVZHARENMORVNLR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.62
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46581440) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46581440
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)ccc2o1
InChIInChI=1S/C22H21N3O3/c1-13-23-19-11-17(6-8-20(19)28-13)24-22(27)16-10-21(26)25(12-16)18-7-5-14-3-2-4-15(14)9-18/h5-9,11,16H,2-4,10,12H2,1H3,(H,24,27)
InChIKeyVZHARENMORVNLR-UHFFFAOYSA-N
XLogP3.62
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 95098992
(3S)-N-(3-bromophenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95098994
ethyl 3-[[(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 95098876
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 60520234
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55748710
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71935936
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55620201
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 43059825
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46424665

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 46581440) is 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nc2cc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)ccc2o1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VZHARENMORVNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-23-19-11-17(6-8-20(19)28-13)24-22(27)16-10-21(26)25(12-16)18-7-5-14-3-2-4-15(14)9-18/h5-9,11,16H,2-4,10,12H2,1H3,(H,24,27).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46581440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).