4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine

C17H21BrN2O — CID 114458197

IUPAC4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
SMILESNc1onc(CC2CCCCCC2)c1-c1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c18-14-10-6-5-9-13(14)16-15(20-21-17(16)19)11-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,19H2
InChIKeyBXKAVVXYPQOITO-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.20
Rot. Bonds3

About 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine

4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine (PubChem CID 114458197) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
PubChem CID114458197
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
SMILESNc1onc(CC2CCCCCC2)c1-c1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c18-14-10-6-5-9-13(14)16-15(20-21-17(16)19)11-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,19H2
InChIKeyBXKAVVXYPQOITO-UHFFFAOYSA-N
XLogP5.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
CID 114458193
3-(cyclopentylmethyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524956
4-(2-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 62830518
4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine
CID 103557004
4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine
CID 114875139
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
CID 43560862
5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 62830687
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344
3-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 81460037

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine (CID 114458197) is 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine is Nc1onc(CC2CCCCCC2)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
The InChIKey is BXKAVVXYPQOITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-14-10-6-5-9-13(14)16-15(20-21-17(16)19)11-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,19H2.
What are the key properties of 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine has a molecular weight of 349.27 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 114458197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).