5-butyl-2-propyl-1,3-benzoxazol-7-amine

C14H20N2O — CID 94977224

IUPAC5-butyl-2-propyl-1,3-benzoxazol-7-amine
SMILESCCCCc1cc(N)c2oc(CCC)nc2c1
InChIInChI=1S/C14H20N2O/c1-3-5-7-10-8-11(15)14-12(9-10)16-13(17-14)6-4-2/h8-9H,3-7,15H2,1-2H3
InChIKeyBFSCAJDVKANCLS-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.71
Rot. Bonds5

About 5-butyl-2-propyl-1,3-benzoxazol-7-amine

5-butyl-2-propyl-1,3-benzoxazol-7-amine (PubChem CID 94977224) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-butyl-2-propyl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-butyl-2-propyl-1,3-benzoxazol-7-amine
PubChem CID94977224
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-butyl-2-propyl-1,3-benzoxazol-7-amine
SMILESCCCCc1cc(N)c2oc(CCC)nc2c1
InChIInChI=1S/C14H20N2O/c1-3-5-7-10-8-11(15)14-12(9-10)16-13(17-14)6-4-2/h8-9H,3-7,15H2,1-2H3
InChIKeyBFSCAJDVKANCLS-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.71
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-propyl-1,3-benzoxazol-7-amine
CID 82232206
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
7-methyl-2-propyl-1,3-benzoxazol-5-amine
CID 82229883
5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095491
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine
CID 82232976
7-bromo-5-butyl-2-methyl-1,3-benzoxazole
CID 82233379
5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095452
5-bromo-2-(2-methylbutyl)-1,3-benzoxazol-7-amine
CID 114874873
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
6-(bromomethyl)-2-butyl-1,3-benzoxazole
CID 146453858

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-propyl-1,3-benzoxazol-7-amine?
The IUPAC name of 5-butyl-2-propyl-1,3-benzoxazol-7-amine (CID 94977224) is 5-butyl-2-propyl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-butyl-2-propyl-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-butyl-2-propyl-1,3-benzoxazol-7-amine is CCCCc1cc(N)c2oc(CCC)nc2c1.
What is the InChIKey of 5-butyl-2-propyl-1,3-benzoxazol-7-amine?
The InChIKey is BFSCAJDVKANCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-5-7-10-8-11(15)14-12(9-10)16-13(17-14)6-4-2/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 5-butyl-2-propyl-1,3-benzoxazol-7-amine?
5-butyl-2-propyl-1,3-benzoxazol-7-amine has a molecular weight of 232.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-propyl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 94977224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).