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

C14H18N2O — CID 84693601

IUPAC2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2oc(C3CCC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-9(8-15)11-5-6-13-12(7-11)16-14(17-13)10-3-2-4-10/h5-7,9-10H,2-4,8,15H2,1H3
InChIKeyPGSOAXLAQNDPNM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.16
Rot. Bonds3

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

2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine (PubChem CID 84693601) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
PubChem CID84693601
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2oc(C3CCC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-9(8-15)11-5-6-13-12(7-11)16-14(17-13)10-3-2-4-10/h5-7,9-10H,2-4,8,15H2,1H3
InChIKeyPGSOAXLAQNDPNM-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
2-cyclobutyl-5-ethynyl-1,3-benzoxazole
CID 166973318
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 84696103
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
CID 82167785
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
CID 83900835
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
The IUPAC name of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine (CID 84693601) is 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine is CC(CN)c1ccc2oc(C3CCC3)nc2c1.
What is the InChIKey of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
The InChIKey is PGSOAXLAQNDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(8-15)11-5-6-13-12(7-11)16-14(17-13)10-3-2-4-10/h5-7,9-10H,2-4,8,15H2,1H3.
What are the key properties of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine is sourced from PubChem (CID 84693601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).