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

C19H18N6O2 — CID 72860317

IUPACN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2coc(-c3ccccc3)n2)nc2ncnn12
InChIInChI=1S/C19H18N6O2/c1-12(2)16-8-15(24-19-21-11-22-25(16)19)17(26)20-9-14-10-27-18(23-14)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,20,26)
InChIKeyJLNUTIDRYJNMDY-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.83
Rot. Bonds5

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

N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 72860317) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID72860317
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2coc(-c3ccccc3)n2)nc2ncnn12
InChIInChI=1S/C19H18N6O2/c1-12(2)16-8-15(24-19-21-11-22-25(16)19)17(26)20-9-14-10-27-18(23-14)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,20,26)
InChIKeyJLNUTIDRYJNMDY-UHFFFAOYSA-N
XLogP2.83
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77080556
7-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77082076
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77098232
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
CID 75494256
1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507627
(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 129397081
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46996822
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56868831
2-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-dihydroimidazole-4-carboxamide
CID 90649187
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 72860317) is N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NCc2coc(-c3ccccc3)n2)nc2ncnn12.
What is the InChIKey of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is JLNUTIDRYJNMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(2)16-8-15(24-19-21-11-22-25(16)19)17(26)20-9-14-10-27-18(23-14)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,20,26).
What are the key properties of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 72860317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).