N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H15BrN2O2 — CID 97069377

IUPACN-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)no1
InChIInChI=1S/C15H15BrN2O2/c1-9-6-12(18-20-9)7-15(19)17-14-8-13(14)10-2-4-11(16)5-3-10/h2-6,13-14H,7-8H2,1H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyGDLMECBVLZJRMP-UONOGXRCSA-N
MW335.20 g/mol
LogP2.96
Rot. Bonds4

About N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 97069377) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID97069377
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)no1
InChIInChI=1S/C15H15BrN2O2/c1-9-6-12(18-20-9)7-15(19)17-14-8-13(14)10-2-4-11(16)5-3-10/h2-6,13-14H,7-8H2,1H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyGDLMECBVLZJRMP-UONOGXRCSA-N
XLogP2.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 97069377) is N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)no1.
What is the InChIKey of N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GDLMECBVLZJRMP-UONOGXRCSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-6-12(18-20-9)7-15(19)17-14-8-13(14)10-2-4-11(16)5-3-10/h2-6,13-14H,7-8H2,1H3,(H,17,19)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 335.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 97069377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).