N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C17H15BrN2O2 — CID 110390691

IUPACN-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(CCC(=O)Nc3cccc(Br)c3)ccc2o1
InChIInChI=1S/C17H15BrN2O2/c1-11-19-15-9-12(5-7-16(15)22-11)6-8-17(21)20-14-4-2-3-13(18)10-14/h2-5,7,9-10H,6,8H2,1H3,(H,20,21)
InChIKeyINPSBDNIRZOPTB-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.47
Rot. Bonds4

About N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390691) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390691
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(CCC(=O)Nc3cccc(Br)c3)ccc2o1
InChIInChI=1S/C17H15BrN2O2/c1-11-19-15-9-12(5-7-16(15)22-11)6-8-17(21)20-14-4-2-3-13(18)10-14/h2-5,7,9-10H,6,8H2,1H3,(H,20,21)
InChIKeyINPSBDNIRZOPTB-UHFFFAOYSA-N
XLogP4.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide 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

3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 60572554
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390667
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 110390691) is N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(CCC(=O)Nc3cccc(Br)c3)ccc2o1.
What is the InChIKey of N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is INPSBDNIRZOPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-19-15-9-12(5-7-16(15)22-11)6-8-17(21)20-14-4-2-3-13(18)10-14/h2-5,7,9-10H,6,8H2,1H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 359.22 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).