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

C17H13N5O3 — CID 18109720

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCc3coc(-c4ccccc4)n3)nn12
InChIInChI=1S/C17H13N5O3/c1-11-7-8-18-17-20-14(21-22(11)17)16(23)25-10-13-9-24-15(19-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyUZEMBVDMYISNFI-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.44
Rot. Bonds4

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

(2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 18109720) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID18109720
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCc3coc(-c4ccccc4)n3)nn12
InChIInChI=1S/C17H13N5O3/c1-11-7-8-18-17-20-14(21-22(11)17)16(23)25-10-13-9-24-15(19-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyUZEMBVDMYISNFI-UHFFFAOYSA-N
XLogP2.44
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 18109720) is (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1ccnc2nc(C(=O)OCc3coc(-c4ccccc4)n3)nn12.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is UZEMBVDMYISNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c1-11-7-8-18-17-20-14(21-22(11)17)16(23)25-10-13-9-24-15(19-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 335.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 18109720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).