N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide

C15H15BrN2O2 — CID 32812219

IUPACN-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C15H15BrN2O2/c1-18(9-11-4-2-3-5-12(11)16)15(19)13-8-14(20-17-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3
InChIKeyGWRLJJSUFRPONO-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.59
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide

N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 32812219) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID32812219
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C15H15BrN2O2/c1-18(9-11-4-2-3-5-12(11)16)15(19)13-8-14(20-17-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3
InChIKeyGWRLJJSUFRPONO-UHFFFAOYSA-N
XLogP3.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24667486
N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46482012
6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62240529
5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42892858
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid
CID 43355762
N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide (CID 32812219) is N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GWRLJJSUFRPONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-18(9-11-4-2-3-5-12(11)16)15(19)13-8-14(20-17-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 32812219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).