N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C16H17N3O4 — CID 71806057

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnoc2C)ccc1N1CCCC1=O
InChIInChI=1S/C16H17N3O4/c1-10-12(9-17-23-10)16(21)18-11-5-6-13(14(8-11)22-2)19-7-3-4-15(19)20/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyJQKKBFVHKSMCLR-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.37
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71806057) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71806057
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnoc2C)ccc1N1CCCC1=O
InChIInChI=1S/C16H17N3O4/c1-10-12(9-17-23-10)16(21)18-11-5-6-13(14(8-11)22-2)19-7-3-4-15(19)20/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyJQKKBFVHKSMCLR-UHFFFAOYSA-N
XLogP2.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728
5-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 29325483
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71806057) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1cc(NC(=O)c2cnoc2C)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JQKKBFVHKSMCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-12(9-17-23-10)16(21)18-11-5-6-13(14(8-11)22-2)19-7-3-4-15(19)20/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71806057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).