5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C16H15BrClN3O3 — CID 5076112

IUPAC5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cc(N(CN2CCCC2=O)C(=O)c2cc(Br)ccc2Cl)no1
InChIInChI=1S/C16H15BrClN3O3/c1-10-7-14(19-24-10)21(9-20-6-2-3-15(20)22)16(23)12-8-11(17)4-5-13(12)18/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyAWJJOJQCQWSQIV-UHFFFAOYSA-N
MW412.67 g/mol
LogP3.63
Rot. Bonds4

About 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 5076112) has the molecular formula C16H15BrClN3O3 and a molecular weight of 412.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID5076112
Molecular FormulaC16H15BrClN3O3
Molecular Weight412.67 g/mol
Exact Mass411.00
IUPAC Name5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cc(N(CN2CCCC2=O)C(=O)c2cc(Br)ccc2Cl)no1
InChIInChI=1S/C16H15BrClN3O3/c1-10-7-14(19-24-10)21(9-20-6-2-3-15(20)22)16(23)12-8-11(17)4-5-13(12)18/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyAWJJOJQCQWSQIV-UHFFFAOYSA-N
XLogP3.63
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4092926
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4301432
3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3241595
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4279260
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide
CID 4148078
3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 4621032
2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5072378
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38303874
N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4175486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 5076112) is 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1cc(N(CN2CCCC2=O)C(=O)c2cc(Br)ccc2Cl)no1.
What is the InChIKey of 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is AWJJOJQCQWSQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O3/c1-10-7-14(19-24-10)21(9-20-6-2-3-15(20)22)16(23)12-8-11(17)4-5-13(12)18/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 412.67 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 5076112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).