N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine

C18H20N2O — CID 57475909

IUPACN-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine
SMILESCC(C)CCN(c1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-14(2)12-13-20(15-8-4-3-5-9-15)18-19-16-10-6-7-11-17(16)21-18/h3-11,14H,12-13H2,1-2H3
InChIKeyKBLRHVNUMMIVFW-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.01
Rot. Bonds5

About N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine

N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 57475909) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID57475909
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine
SMILESCC(C)CCN(c1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-14(2)12-13-20(15-8-4-3-5-9-15)18-19-16-10-6-7-11-17(16)21-18/h3-11,14H,12-13H2,1-2H3
InChIKeyKBLRHVNUMMIVFW-UHFFFAOYSA-N
XLogP5.01
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(1,3-benzoxazol-2-yl)anilino]propanethioamide
CID 61033215
N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
N'-(1,3-benzoxazol-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 61033078
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
1-(3-methylbutyl)-1-phenylhydrazine
CID 22487049
N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine
CID 44603809
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
N-(2-bromoethyl)-N-ethyl-1,3-benzoxazol-2-amine
CID 80672616
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
CID 43118542
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine
CID 166918292
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
CID 60979792

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine (CID 57475909) is N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine is CC(C)CCN(c1ccccc1)c1nc2ccccc2o1.
What is the InChIKey of N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is KBLRHVNUMMIVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(2)12-13-20(15-8-4-3-5-9-15)18-19-16-10-6-7-11-17(16)21-18/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine?
N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 280.37 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 57475909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).