2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine

C15H22N2O — CID 82232206

IUPAC2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
SMILESCCCc1cc(N)c2oc(CC(C)(C)C)nc2c1
InChIInChI=1S/C15H22N2O/c1-5-6-10-7-11(16)14-12(8-10)17-13(18-14)9-15(2,3)4/h7-8H,5-6,9,16H2,1-4H3
InChIKeySWQLXKJLWVUEQK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.95
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine

2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine (PubChem CID 82232206) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
PubChem CID82232206
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
SMILESCCCc1cc(N)c2oc(CC(C)(C)C)nc2c1
InChIInChI=1S/C15H22N2O/c1-5-6-10-7-11(16)14-12(8-10)17-13(18-14)9-15(2,3)4/h7-8H,5-6,9,16H2,1-4H3
InChIKeySWQLXKJLWVUEQK-UHFFFAOYSA-N
XLogP3.95
TPSA52.05 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine
CID 82232976
5-butyl-2-propyl-1,3-benzoxazol-7-amine
CID 94977224
2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82231108
7-methyl-2-propyl-1,3-benzoxazol-5-amine
CID 82229883
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095491
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
CID 171405016
5-bromo-2-(2,4,4-trimethylpentyl)-1,3-benzoxazol-7-amine
CID 104728776
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
5-bromo-2-(2-methylbutyl)-1,3-benzoxazol-7-amine
CID 114874873

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine (CID 82232206) is 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine is CCCc1cc(N)c2oc(CC(C)(C)C)nc2c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine?
The InChIKey is SWQLXKJLWVUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-6-10-7-11(16)14-12(8-10)17-13(18-14)9-15(2,3)4/h7-8H,5-6,9,16H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine?
2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine has a molecular weight of 246.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82232206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).