N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine

C15H22N2O — CID 54924309

IUPACN-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C15H22N2O/c1-10(2)16-9-14-17-12-8-11(15(3,4)5)6-7-13(12)18-14/h6-8,10,16H,9H2,1-5H3
InChIKeyNUNODZFFJYKRIQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.62
Rot. Bonds3

About N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine

N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine (PubChem CID 54924309) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
PubChem CID54924309
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C15H22N2O/c1-10(2)16-9-14-17-12-8-11(15(3,4)5)6-7-13(12)18-14/h6-8,10,16H,9H2,1-5H3
InChIKeyNUNODZFFJYKRIQ-UHFFFAOYSA-N
XLogP3.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
L 697639
CID 60832
L 696229
CID 72352
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884
2-(2'-Methylphenyl)benzoxazole
CID 154899
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
L 696040
CID 131887
3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)aniline
CID 721040

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine (CID 54924309) is N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine is CC(C)NCc1nc2cc(C(C)(C)C)ccc2o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
The InChIKey is NUNODZFFJYKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)16-9-14-17-12-8-11(15(3,4)5)6-7-13(12)18-14/h6-8,10,16H,9H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 54924309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).