2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine

C15H22N2O — CID 54866635

IUPAC2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
SMILESCCCC(C)CNc1ccc2oc(CC)nc2c1
InChIInChI=1S/C15H22N2O/c1-4-6-11(3)10-16-12-7-8-14-13(9-12)17-15(5-2)18-14/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyIMVUFRCSWJHESE-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.24
Rot. Bonds6

About 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine

2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine (PubChem CID 54866635) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
PubChem CID54866635
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
SMILESCCCC(C)CNc1ccc2oc(CC)nc2c1
InChIInChI=1S/C15H22N2O/c1-4-6-11(3)10-16-12-7-8-14-13(9-12)17-15(5-2)18-14/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyIMVUFRCSWJHESE-UHFFFAOYSA-N
XLogP4.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
CID 63451586
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
CID 65337571
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81418601
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
CID 61000799
2-ethyl-N-[(2-fluorophenyl)methyl]-1,3-benzoxazol-5-amine
CID 60930795
2-ethyl-N-(1H-imidazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 54976526
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66416145
2-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66400033

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine (CID 54866635) is 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine is CCCC(C)CNc1ccc2oc(CC)nc2c1.
What is the InChIKey of 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine?
The InChIKey is IMVUFRCSWJHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-6-11(3)10-16-12-7-8-14-13(9-12)17-15(5-2)18-14/h7-9,11,16H,4-6,10H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine?
2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine has a molecular weight of 246.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 54866635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).