2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate

C12H12BrN3O3 — CID 174997540

IUPAC2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate
SMILESCc1c(Br)cccc1-c1nnc(CCOC(N)=O)o1
InChIInChI=1S/C12H12BrN3O3/c1-7-8(3-2-4-9(7)13)11-16-15-10(19-11)5-6-18-12(14)17/h2-4H,5-6H2,1H3,(H2,14,17)
InChIKeyUUIQEQTUHLUJOQ-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.45
Rot. Bonds4

About 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate

2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate (PubChem CID 174997540) has the molecular formula C12H12BrN3O3 and a molecular weight of 326.15 g/mol. Its IUPAC name is 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate
PubChem CID174997540
Molecular FormulaC12H12BrN3O3
Molecular Weight326.15 g/mol
Exact Mass325.01
IUPAC Name2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate
SMILESCc1c(Br)cccc1-c1nnc(CCOC(N)=O)o1
InChIInChI=1S/C12H12BrN3O3/c1-7-8(3-2-4-9(7)13)11-16-15-10(19-11)5-6-18-12(14)17/h2-4H,5-6H2,1H3,(H2,14,17)
InChIKeyUUIQEQTUHLUJOQ-UHFFFAOYSA-N
XLogP2.45
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 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

(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 169101326
2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
CID 107951358
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethoxybenzoate
CID 4829023
ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate
CID 61499088
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl benzoate
CID 2516937
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
3-[5-(2-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908050
2-(3-bromo-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345978
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl (3R)-3-phenylbutanoate
CID 7265880
ethyl 2-(3-bromo-2-methylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199140
tert-butyl N-[(1R)-1-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
CID 166525655
2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 131123776

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate?
The IUPAC name of 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate (CID 174997540) is 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate.
What is the SMILES notation for 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate?
The canonical SMILES for 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate is Cc1c(Br)cccc1-c1nnc(CCOC(N)=O)o1.
What is the InChIKey of 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate?
The InChIKey is UUIQEQTUHLUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3/c1-7-8(3-2-4-9(7)13)11-16-15-10(19-11)5-6-18-12(14)17/h2-4H,5-6H2,1H3,(H2,14,17).
What are the key properties of 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate?
2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate has a molecular weight of 326.15 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate is sourced from PubChem (CID 174997540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).