cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide

C16H17BrN2O2 — CID 94815781

IUPACcis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)no1
InChIInChI=1S/C16H17BrN2O2/c1-10-7-13(18-21-10)9-19(2)16(20)15-8-14(15)11-3-5-12(17)6-4-11/h3-7,14-15H,8-9H2,1-2H3/t14-,15-/m1/s1
InChIKeyZNCMZIZPHBDFJI-HUUCEWRRSA-N
MW349.23 g/mol
LogP3.51
Rot. Bonds4

About cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 94815781) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID94815781
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Namecis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)no1
InChIInChI=1S/C16H17BrN2O2/c1-10-7-13(18-21-10)9-19(2)16(20)15-8-14(15)11-3-5-12(17)6-4-11/h3-7,14-15H,8-9H2,1-2H3/t14-,15-/m1/s1
InChIKeyZNCMZIZPHBDFJI-HUUCEWRRSA-N
XLogP3.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-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

cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93320943
trans-(1R,2R)-2-(4-bromophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 166263231
N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63716443
cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 95595198
N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 97069377
N-[2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71875954
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64822535
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729303
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 142111486
trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 52528149
trans-(1R,2R)-2-(4-bromophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 15141054
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 94815781) is cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide is Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)no1.
What is the InChIKey of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is ZNCMZIZPHBDFJI-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-7-13(18-21-10)9-19(2)16(20)15-8-14(15)11-3-5-12(17)6-4-11/h3-7,14-15H,8-9H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94815781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).