3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine

C11H14N2O — CID 82490943

IUPAC3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2ocnc2c1
InChIInChI=1S/C11H14N2O/c1-12-6-2-3-9-4-5-11-10(7-9)13-8-14-11/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyUOYUMJRKAJEWLN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.98
Rot. Bonds4

About 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine

3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine (PubChem CID 82490943) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine
PubChem CID82490943
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2ocnc2c1
InChIInChI=1S/C11H14N2O/c1-12-6-2-3-9-4-5-11-10(7-9)13-8-14-11/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyUOYUMJRKAJEWLN-UHFFFAOYSA-N
XLogP1.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-1,3-benzoxazole
CID 90964458
2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
CID 82490944
4-(1,3-benzoxazol-5-yl)butanoic acid
CID 82492001
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110707389
N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110707437
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255151
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine (CID 82490943) is 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine is CNCCCc1ccc2ocnc2c1.
What is the InChIKey of 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is UOYUMJRKAJEWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-12-6-2-3-9-4-5-11-10(7-9)13-8-14-11/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine?
3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 82490943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).