cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate

C15H15BrN2O3 — CID 66660573

IUPACcyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccc(Br)cc2)c1NC(=O)OCC1CC1
InChIInChI=1S/C15H15BrN2O3/c1-9-13(17-15(19)20-8-10-2-3-10)14(21-18-9)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3,(H,17,19)
InChIKeyRYGVRFMCEBRJPW-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.37
Rot. Bonds4

About cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate

cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 66660573) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID66660573
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Namecyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccc(Br)cc2)c1NC(=O)OCC1CC1
InChIInChI=1S/C15H15BrN2O3/c1-9-13(17-15(19)20-8-10-2-3-10)14(21-18-9)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3,(H,17,19)
InChIKeyRYGVRFMCEBRJPW-UHFFFAOYSA-N
XLogP4.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate 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

1-phenylethyl N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamate
CID 44454369
prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
CID 2731977
(1R)-1-Phenylethyl N-(5-(4-bromophenyl)-3-methyl-4-isoxazolyl)carbamate
CID 66660383
1-(2-bromophenyl)ethyl N-[5-(3-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279517
1-phenylethyl N-[5-(4-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279523
1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279524
1-(2-fluorophenyl)ethyl N-[5-(3-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279578
1-phenylethyl N-[5-(3-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279619
[5-(4-Bromo-3-methyl-phenyl)-3-methyl-isoxazol-4-yl]carbamic acid (R)-1-(2-fluoro-phenyl)-ethyl Ester
CID 54765945
[(1R)-1-(2-bromophenyl)ethyl] N-[5-(3-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 59074063
[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-[3-(3-fluoro-phenyl)-1-methyl-propyl]-amine
CID 66577273
5-(4-bromophenyl)-N-[3-(3-fluorophenyl)butyl]-3-methyl-1,2-oxazol-4-amine
CID 66577274

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate (CID 66660573) is cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate is Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is RYGVRFMCEBRJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-9-13(17-15(19)20-8-10-2-3-10)14(21-18-9)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3,(H,17,19).
What are the key properties of cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 351.20 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 66660573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).