N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine

C17H26N2O — CID 43745091

IUPACN-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)CCC(C)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C17H26N2O/c1-11(2)6-7-13(5)18-14-8-9-16-15(10-14)19-17(20-16)12(3)4/h8-13,18H,6-7H2,1-5H3
InChIKeyZZGDIDPMLLCVOC-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.19
Rot. Bonds6

About N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine

N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 43745091) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID43745091
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)CCC(C)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C17H26N2O/c1-11(2)6-7-13(5)18-14-8-9-16-15(10-14)19-17(20-16)12(3)4/h8-13,18H,6-7H2,1-5H3
InChIKeyZZGDIDPMLLCVOC-UHFFFAOYSA-N
XLogP5.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745099
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111
N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 55630143
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 43745091) is N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)CCC(C)Nc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is ZZGDIDPMLLCVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)6-7-13(5)18-14-8-9-16-15(10-14)19-17(20-16)12(3)4/h8-13,18H,6-7H2,1-5H3.
What are the key properties of N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 274.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43745091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).