(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine

C10H10N2O — CID 117277112

IUPAC(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc2ocnc12
InChIInChI=1S/C10H10N2O/c11-6-2-4-8-3-1-5-9-10(8)12-7-13-9/h1-5,7H,6,11H2/b4-2+
InChIKeyDVLFGKQLNXPXHE-DUXPYHPUSA-N
MW174.20 g/mol
LogP1.80
Rot. Bonds2

About (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine

(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine (PubChem CID 117277112) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine
PubChem CID117277112
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc2ocnc12
InChIInChI=1S/C10H10N2O/c11-6-2-4-8-3-1-5-9-10(8)12-7-13-9/h1-5,7H,6,11H2/b4-2+
InChIKeyDVLFGKQLNXPXHE-DUXPYHPUSA-N
XLogP1.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-4-yl)prop-2-en-1-amine
CID 169463683
(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117280803
(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
CID 117296994
(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine
CID 117281991
2-(3-aminoprop-1-enyl)aniline
CID 67152713
ethane;4-ethoxy-1,3-benzoxazole
CID 159856269
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
3-(1,3-benzoxazol-4-yl)propan-1-ol
CID 117277496
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
CID 117328126
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
4-(3-methylbutyl)-1,3-benzoxazole
CID 91502984

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine (CID 117277112) is (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine is NC/C=C/c1cccc2ocnc12.
What is the InChIKey of (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine?
The InChIKey is DVLFGKQLNXPXHE-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-2-4-8-3-1-5-9-10(8)12-7-13-9/h1-5,7H,6,11H2/b4-2+.
What are the key properties of (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine?
(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine has a molecular weight of 174.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 117277112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).