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

C21H21N3O4 — CID 60520234

IUPAC1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccc3oc(C)nc3c2)CC1=O
InChIInChI=1S/C21H21N3O4/c1-12-4-6-19(27-3)17(8-12)24-11-14(9-20(24)25)21(26)23-15-5-7-18-16(10-15)22-13(2)28-18/h4-8,10,14H,9,11H2,1-3H3,(H,23,26)
InChIKeyQMGAJNBQXMKXFO-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.44
Rot. Bonds4

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

1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60520234) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60520234
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccc3oc(C)nc3c2)CC1=O
InChIInChI=1S/C21H21N3O4/c1-12-4-6-19(27-3)17(8-12)24-11-14(9-20(24)25)21(26)23-15-5-7-18-16(10-15)22-13(2)28-18/h4-8,10,14H,9,11H2,1-3H3,(H,23,26)
InChIKeyQMGAJNBQXMKXFO-UHFFFAOYSA-N
XLogP3.44
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788368
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
1-(2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43025512
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46581440
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 42651327
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
1-(2-methoxy-5-methylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17191964
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 41025656
(3R)-N-[6-(dimethylamino)-3-pyridinyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30273084
(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 95098992
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55620201
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 60520234) is 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2ccc3oc(C)nc3c2)CC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QMGAJNBQXMKXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12-4-6-19(27-3)17(8-12)24-11-14(9-20(24)25)21(26)23-15-5-7-18-16(10-15)22-13(2)28-18/h4-8,10,14H,9,11H2,1-3H3,(H,23,26).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60520234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).