N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C15H13BrN4O2 — CID 167921939

IUPACN-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ncoc2C2CCCN2)ccc1Br
InChIInChI=1S/C15H13BrN4O2/c16-11-4-3-10(6-9(11)7-17)20-15(21)13-14(22-8-19-13)12-2-1-5-18-12/h3-4,6,8,12,18H,1-2,5H2,(H,20,21)
InChIKeyGLDINMVFTQCTQQ-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.99
Rot. Bonds3

About N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 167921939) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID167921939
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC NameN-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ncoc2C2CCCN2)ccc1Br
InChIInChI=1S/C15H13BrN4O2/c16-11-4-3-10(6-9(11)7-17)20-15(21)13-14(22-8-19-13)12-2-1-5-18-12/h3-4,6,8,12,18H,1-2,5H2,(H,20,21)
InChIKeyGLDINMVFTQCTQQ-UHFFFAOYSA-N
XLogP2.99
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-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-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 167859846
N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide
CID 122187792
5-(oxolan-2-yl)-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
CID 102561331
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
CID 43233967
acetyl acetate;5-amino-2-bromobenzonitrile;N-(4-bromo-3-cyanophenyl)acetamide
CID 159564132
2-bromo-N-(3,4-dicyanophenyl)-5-sulfanylbenzamide
CID 107794539
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742138
N-(2-methyl-4-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971294
N-(3-chloro-4-cyanophenyl)-5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3232312
N-(4-hydroxy-3-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742448

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 167921939) is N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is N#Cc1cc(NC(=O)c2ncoc2C2CCCN2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GLDINMVFTQCTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c16-11-4-3-10(6-9(11)7-17)20-15(21)13-14(22-8-19-13)12-2-1-5-18-12/h3-4,6,8,12,18H,1-2,5H2,(H,20,21).
What are the key properties of N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167921939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).