N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C16H19BrN2O2 — CID 55717037

IUPACN-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2/c1-10(8-13-4-6-14(17)7-5-13)18-16(20)9-15-11(2)19-21-12(15)3/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeySBJVXUKDIVWKMV-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.34
Rot. Bonds5

About N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 55717037) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID55717037
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2/c1-10(8-13-4-6-14(17)7-5-13)18-16(20)9-15-11(2)19-21-12(15)3/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeySBJVXUKDIVWKMV-UHFFFAOYSA-N
XLogP3.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-allyl-5-(4-bromophenyl)isoxazole-3-carboxamide
CID 3238993
5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3241419
4-bromo-5-(4-bromophenyl)-N-cyclopentylisoxazole-3-carboxamide
CID 53324813
4-Bromo-n-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 53325573
(3S,6S)-4-(5-(4-Bromophenyl)isoxazole-3-carbonyl)-3,6-diisobutylpiperazin-2-one
CID 68159012
5-Methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3073021
5-(4-bromophenyl)-N,N-diethyl-3-isoxazolecarboxamide
CID 3238274
5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 3242684
5-(4-bromophenyl)-N-propan-2-yl-3-isoxazolecarboxamide
CID 3244552
5-(4-bromophenyl)-N-(1-phenylethyl)isoxazole-3-carboxamide
CID 3245735
N-(2-phenylethyl)-5-propyl-3-isoxazolecarboxamide
CID 5307531

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 55717037) is N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NC(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is SBJVXUKDIVWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10(8-13-4-6-14(17)7-5-13)18-16(20)9-15-11(2)19-21-12(15)3/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 351.24 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 55717037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).