N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide

C14H15BrN2O2 — CID 138024898

IUPACN-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-9(11-3-5-12(15)6-4-11)7-16-14(18)13-8-19-17-10(13)2/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyFTRRXPKDEVRFTH-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.28
Rot. Bonds4

About N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 138024898) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID138024898
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-9(11-3-5-12(15)6-4-11)7-16-14(18)13-8-19-17-10(13)2/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyFTRRXPKDEVRFTH-UHFFFAOYSA-N
XLogP3.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 83617546
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
CID 138005395
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
5-(4-methylphenyl)-N-(2-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 59170277
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 138024898) is N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NCC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FTRRXPKDEVRFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9(11-3-5-12(15)6-4-11)7-16-14(18)13-8-19-17-10(13)2/h3-6,8-9H,7H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138024898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).