5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C20H19BrN2O4 — CID 15994186

IUPAC5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1OC
InChIInChI=1S/C20H19BrN2O4/c1-25-17-8-3-13(11-19(17)26-2)9-10-22-20(24)16-12-18(27-23-16)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyNKFPRHIPVLLHAZ-UHFFFAOYSA-N
MW431.29 g/mol
LogP4.09
Rot. Bonds7

About 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 15994186) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID15994186
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC Name5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1OC
InChIInChI=1S/C20H19BrN2O4/c1-25-17-8-3-13(11-19(17)26-2)9-10-22-20(24)16-12-18(27-23-16)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyNKFPRHIPVLLHAZ-UHFFFAOYSA-N
XLogP4.09
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-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-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 57383727
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 60618527
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 86911932

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 15994186) is 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1OC.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NKFPRHIPVLLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c1-25-17-8-3-13(11-19(17)26-2)9-10-22-20(24)16-12-18(27-23-16)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15994186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).