3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine

C14H10FN7O — CID 25188209

IUPAC3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19)
InChIKeyYKXAXNRPKPCUCH-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.65
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine

3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 25188209) has the molecular formula C14H10FN7O and a molecular weight of 311.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID25188209
Molecular FormulaC14H10FN7O
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19)
InChIKeyYKXAXNRPKPCUCH-UHFFFAOYSA-N
XLogP1.65
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine with MolForge

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Related Compounds

4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10506159
5-Fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44552725
5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-l-isopropylpyrdin-2(1H)-one
CID 146490903
4-Acetyl-1-[3-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3,3-dimethylpiperazin-2-one
CID 137640131
2-[1-[(2-Fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1,3-oxazole
CID 23381202
6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-amino-N-(2,6-difluorobenzyl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386432
8-(2-Cyclopropyl-6-methylpyridin-4-yl)-2-(2,6-di fluorobenzyl)-7-(oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490612
4-(5-Amino-2-(2,6-difluorobenzy1)-7-(oxazol-2-yl)-[l,2,4]triazolo[l,5-c]pyrimidin-8-yl)-6-methyl picolinonitrile
CID 146490614
2-(2,6-difluorobenzyl)-8-(1-methyl-1H-benzo[d] imidazol-6-yl)-7-(oxazol-2-yl)-[1,2,4]triazolo[1, 5-c]pyrimidin-5-amine
CID 146490643
2-((3-fluoropyridin-2-yl)methyl)-8-(1-methyl-1H-benzo[d]imidazol-6-yl)-7-(oxazol-2-yl)-[1,2,4] triazolo[1,5-c]pyrimidin-5-amine
CID 146490647
2-((3-Fluoropyridin-2-yl)methyl)-8-(imidazo[l,2-a]pyrdin-6-yl)-7-(oxazol-2-yl)-[1,2,4]triazolo[1, 5-c]pyrimidin-5-amine
CID 146490649
5-(5-amino-2-(2,6-difluorobenzyl)-7-(5-methyloxazol-2-yl)-[l,2,4]triazolo[l,5-c]pyrimidin-8-yl)-1-methylpyridin-2(1H)-one
CID 146490674

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 25188209) is 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is YKXAXNRPKPCUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19).
What are the key properties of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 311.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 25188209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).