5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine

C13H12N6O — CID 7285286

IUPAC5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
SMILESCc1cc(N/C=C\c2nnnn2-c2ccccc2)no1
InChIInChI=1S/C13H12N6O/c1-10-9-12(16-20-10)14-8-7-13-15-17-18-19(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,16)/b8-7-
InChIKeyKDLVDBIUNIVJHT-FPLPWBNLSA-N
MW268.28 g/mol
LogP2.04
Rot. Bonds4

About 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine

5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine (PubChem CID 7285286) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
PubChem CID7285286
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
SMILESCc1cc(N/C=C\c2nnnn2-c2ccccc2)no1
InChIInChI=1S/C13H12N6O/c1-10-9-12(16-20-10)14-8-7-13-15-17-18-19(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,16)/b8-7-
InChIKeyKDLVDBIUNIVJHT-FPLPWBNLSA-N
XLogP2.04
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-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 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine (CID 7285286) is 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine is Cc1cc(N/C=C\c2nnnn2-c2ccccc2)no1.
What is the InChIKey of 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
The InChIKey is KDLVDBIUNIVJHT-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H12N6O/c1-10-9-12(16-20-10)14-8-7-13-15-17-18-19(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,16)/b8-7-.
What are the key properties of 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine has a molecular weight of 268.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 7285286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).