(5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C18H15N5O3 — CID 9119591

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1cc(C)n2nc(C(=O)OCc3ncc(-c4ccccc4)o3)nc2n1
InChIInChI=1S/C18H15N5O3/c1-11-8-12(2)23-18(20-11)21-16(22-23)17(24)25-10-15-19-9-14(26-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyDXUWNXGZQOLWBW-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.75
Rot. Bonds4

About (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 9119591) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID9119591
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1cc(C)n2nc(C(=O)OCc3ncc(-c4ccccc4)o3)nc2n1
InChIInChI=1S/C18H15N5O3/c1-11-8-12(2)23-18(20-11)21-16(22-23)17(24)25-10-15-19-9-14(26-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyDXUWNXGZQOLWBW-UHFFFAOYSA-N
XLogP2.75
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate 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-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 9119591) is (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1cc(C)n2nc(C(=O)OCc3ncc(-c4ccccc4)o3)nc2n1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is DXUWNXGZQOLWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-11-8-12(2)23-18(20-11)21-16(22-23)17(24)25-10-15-19-9-14(26-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 9119591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).