3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

C17H17BrN2O — CID 115354111

IUPAC3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(-c2ccc3cc(Br)ccc3c2)noc1N
InChIInChI=1S/C17H17BrN2O/c1-10(2)7-15-16(20-21-17(15)19)13-4-3-12-9-14(18)6-5-11(12)8-13/h3-6,8-10H,7,19H2,1-2H3
InChIKeyWRNBYLHRHPIWFF-UHFFFAOYSA-N
MW345.24 g/mol
LogP5.04
Rot. Bonds3

About 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (PubChem CID 115354111) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
PubChem CID115354111
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(-c2ccc3cc(Br)ccc3c2)noc1N
InChIInChI=1S/C17H17BrN2O/c1-10(2)7-15-16(20-21-17(15)19)13-4-3-12-9-14(18)6-5-11(12)8-13/h3-6,8-10H,7,19H2,1-2H3
InChIKeyWRNBYLHRHPIWFF-UHFFFAOYSA-N
XLogP5.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.24
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 106854761
4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine
CID 135969050
3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 107982875
3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 105473442
4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
CID 113292820
4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79217867
4-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-3-isoquinolin-6-yl-1,2-oxazol-5-amine
CID 140542224
5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200466
3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 43670956
4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
CID 166023438
3-(2-methoxy-3-pyridinyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 62875660

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (CID 115354111) is 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is CC(C)Cc1c(-c2ccc3cc(Br)ccc3c2)noc1N.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The InChIKey is WRNBYLHRHPIWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-10(2)7-15-16(20-21-17(15)19)13-4-3-12-9-14(18)6-5-11(12)8-13/h3-6,8-10H,7,19H2,1-2H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine has a molecular weight of 345.24 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115354111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).