(Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine

C17H17FN4O — CID 70214819

IUPAC(Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine
SMILESC=C/N=C/C=C(\N)c1nc2c(o1)CCN(c1cccc(F)c1)C2
InChIInChI=1S/C17H17FN4O/c1-2-20-8-6-14(19)17-21-15-11-22(9-7-16(15)23-17)13-5-3-4-12(18)10-13/h2-6,8,10H,1,7,9,11,19H2/b14-6-,20-8+
InChIKeyFXBLBMQAJDJING-LOSLOISRSA-N
MW312.35 g/mol
LogP2.89
Rot. Bonds4

About (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine

(Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine (PubChem CID 70214819) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine
PubChem CID70214819
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name(Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine
SMILESC=C/N=C/C=C(\N)c1nc2c(o1)CCN(c1cccc(F)c1)C2
InChIInChI=1S/C17H17FN4O/c1-2-20-8-6-14(19)17-21-15-11-22(9-7-16(15)23-17)13-5-3-4-12(18)10-13/h2-6,8,10H,1,7,9,11,19H2/b14-6-,20-8+
InChIKeyFXBLBMQAJDJING-LOSLOISRSA-N
XLogP2.89
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine (CID 70214819) is (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine is C=C/N=C/C=C(\N)c1nc2c(o1)CCN(c1cccc(F)c1)C2.
What is the InChIKey of (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine?
The InChIKey is FXBLBMQAJDJING-LOSLOISRSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-2-20-8-6-14(19)17-21-15-11-22(9-7-16(15)23-17)13-5-3-4-12(18)10-13/h2-6,8,10H,1,7,9,11,19H2/b14-6-,20-8+.
What are the key properties of (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine?
(Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine has a molecular weight of 312.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenylimino-1-[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]prop-1-en-1-amine is sourced from PubChem (CID 70214819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).