2-(1,3-benzoxazol-6-yloxy)propan-1-amine

C10H12N2O2 — CID 117098364

IUPAC2-(1,3-benzoxazol-6-yloxy)propan-1-amine
SMILESCC(CN)Oc1ccc2ncoc2c1
InChIInChI=1S/C10H12N2O2/c1-7(5-11)14-8-2-3-9-10(4-8)13-6-12-9/h2-4,6-7H,5,11H2,1H3
InChIKeyFQCVNOFRMSCMCQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.55
Rot. Bonds3

About 2-(1,3-benzoxazol-6-yloxy)propan-1-amine

2-(1,3-benzoxazol-6-yloxy)propan-1-amine (PubChem CID 117098364) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yloxy)propan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yloxy)propan-1-amine
PubChem CID117098364
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(1,3-benzoxazol-6-yloxy)propan-1-amine
SMILESCC(CN)Oc1ccc2ncoc2c1
InChIInChI=1S/C10H12N2O2/c1-7(5-11)14-8-2-3-9-10(4-8)13-6-12-9/h2-4,6-7H,5,11H2,1H3
InChIKeyFQCVNOFRMSCMCQ-UHFFFAOYSA-N
XLogP1.55
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine
CID 117098400
2-N-(1,3-benzoxazol-6-yl)-2-N-methylpropane-1,2-diamine
CID 117039932
3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide
CID 115153507
6-prop-2-ynoxy-1,3-benzoxazole
CID 117098389
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832
4-(1,3-benzoxazol-6-yloxymethyl)aniline
CID 117098377
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740
1,3-benzoxazol-6-ylmethanamine
CID 55219292
6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
4-amino-N-(1,3-benzoxazol-6-yl)-N,2-dimethylbutanamide
CID 115155993
1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol
CID 116859184

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yloxy)propan-1-amine?
The IUPAC name of 2-(1,3-benzoxazol-6-yloxy)propan-1-amine (CID 117098364) is 2-(1,3-benzoxazol-6-yloxy)propan-1-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yloxy)propan-1-amine?
The canonical SMILES for 2-(1,3-benzoxazol-6-yloxy)propan-1-amine is CC(CN)Oc1ccc2ncoc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yloxy)propan-1-amine?
The InChIKey is FQCVNOFRMSCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(5-11)14-8-2-3-9-10(4-8)13-6-12-9/h2-4,6-7H,5,11H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-6-yloxy)propan-1-amine?
2-(1,3-benzoxazol-6-yloxy)propan-1-amine has a molecular weight of 192.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yloxy)propan-1-amine is sourced from PubChem (CID 117098364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).