N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H16BrN3O3 — CID 60552507

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O3/c1-9-14(10(2)22-19-9)15(21)17-8-7-13(20)18-12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySTPXTTQLGRJJQL-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.81
Rot. Bonds5

About N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 60552507) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID60552507
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O3/c1-9-14(10(2)22-19-9)15(21)17-8-7-13(20)18-12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySTPXTTQLGRJJQL-UHFFFAOYSA-N
XLogP2.81
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
N-[3-(4-bromoanilino)-3-oxopropyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 55951068
N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760658
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
CID 55979616
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 60552507) is N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is STPXTTQLGRJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-9-14(10(2)22-19-9)15(21)17-8-7-13(20)18-12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60552507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).