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

C14H17BrN2O — CID 114875139

IUPAC4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine
SMILESCCC(C)Cc1noc(N)c1-c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-9(2)8-12-13(14(16)18-17-12)10-6-4-5-7-11(10)15/h4-7,9H,3,8,16H2,1-2H3
InChIKeyPAQGYEZRSNPQEO-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.27
Rot. Bonds4

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

4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine (PubChem CID 114875139) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine
PubChem CID114875139
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine
SMILESCCC(C)Cc1noc(N)c1-c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-9(2)8-12-13(14(16)18-17-12)10-6-4-5-7-11(10)15/h4-7,9H,3,8,16H2,1-2H3
InChIKeyPAQGYEZRSNPQEO-UHFFFAOYSA-N
XLogP4.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 62830518
4-(2-methoxyphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43158239
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
CID 114458197
4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine
CID 103557004
4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
CID 62829297
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(2-bromophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62829472
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344
4-(2-methoxyphenyl)-5-(2-methylbutyl)-1,2-oxazol-3-amine
CID 114877509

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine (CID 114875139) is 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine is CCC(C)Cc1noc(N)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine?
The InChIKey is PAQGYEZRSNPQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-9(2)8-12-13(14(16)18-17-12)10-6-4-5-7-11(10)15/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine?
4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine has a molecular weight of 309.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 114875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).