2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine

C17H22N6O — CID 84595996

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCc1noc(C)c1C(C)CNC(C)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H22N6O/c1-11(17-13(3)20-24-14(17)4)9-18-12(2)15-5-7-16(8-6-15)23-10-19-21-22-23/h5-8,10-12,18H,9H2,1-4H3
InChIKeySZRJCXQASWDOMB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 84595996) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID84595996
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCc1noc(C)c1C(C)CNC(C)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H22N6O/c1-11(17-13(3)20-24-14(17)4)9-18-12(2)15-5-7-16(8-6-15)23-10-19-21-22-23/h5-8,10-12,18H,9H2,1-4H3
InChIKeySZRJCXQASWDOMB-UHFFFAOYSA-N
XLogP2.72
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-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 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine (CID 84595996) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine is Cc1noc(C)c1C(C)CNC(C)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is SZRJCXQASWDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11(17-13(3)20-24-14(17)4)9-18-12(2)15-5-7-16(8-6-15)23-10-19-21-22-23/h5-8,10-12,18H,9H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 326.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 84595996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).