4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide

C17H22N6O3 — CID 21185213

IUPAC4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC1=NOC(CCn2nnn(C(=O)N(c3ccccc3)C(C)C)c2=O)C1
InChIInChI=1S/C17H22N6O3/c1-12(2)22(14-7-5-4-6-8-14)17(25)23-16(24)21(19-20-23)10-9-15-11-13(3)18-26-15/h4-8,12,15H,9-11H2,1-3H3
InChIKeySEPRFRCSHNKRLY-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.88
Rot. Bonds5

About 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide

4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 21185213) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
PubChem CID21185213
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC1=NOC(CCn2nnn(C(=O)N(c3ccccc3)C(C)C)c2=O)C1
InChIInChI=1S/C17H22N6O3/c1-12(2)22(14-7-5-4-6-8-14)17(25)23-16(24)21(19-20-23)10-9-15-11-13(3)18-26-15/h4-8,12,15H,9-11H2,1-3H3
InChIKeySEPRFRCSHNKRLY-UHFFFAOYSA-N
XLogP1.88
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide 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 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide (CID 21185213) is 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide is CC1=NOC(CCn2nnn(C(=O)N(c3ccccc3)C(C)C)c2=O)C1.
What is the InChIKey of 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is SEPRFRCSHNKRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12(2)22(14-7-5-4-6-8-14)17(25)23-16(24)21(19-20-23)10-9-15-11-13(3)18-26-15/h4-8,12,15H,9-11H2,1-3H3.
What are the key properties of 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 21185213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).