N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide

C14H16N6O2 — CID 162467481

IUPACN-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C(C)C)nn2c(-c2cnc(C)o2)n1
InChIInChI=1S/C14H16N6O2/c1-7(2)13-18-12-5-11(16-8(3)21)17-14(20(12)19-13)10-6-15-9(4)22-10/h5-7H,1-4H3,(H,16,21)
InChIKeyDDRDSQSNXOIMBO-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.17
Rot. Bonds3

About N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide

N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide (PubChem CID 162467481) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
PubChem CID162467481
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C(C)C)nn2c(-c2cnc(C)o2)n1
InChIInChI=1S/C14H16N6O2/c1-7(2)13-18-12-5-11(16-8(3)21)17-14(20(12)19-13)10-6-15-9(4)22-10/h5-7H,1-4H3,(H,16,21)
InChIKeyDDRDSQSNXOIMBO-UHFFFAOYSA-N
XLogP2.17
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The IUPAC name of N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide (CID 162467481) is N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide is CC(=O)Nc1cc2nc(C(C)C)nn2c(-c2cnc(C)o2)n1.
What is the InChIKey of N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The InChIKey is DDRDSQSNXOIMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-7(2)13-18-12-5-11(16-8(3)21)17-14(20(12)19-13)10-6-15-9(4)22-10/h5-7H,1-4H3,(H,16,21).
What are the key properties of N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 162467481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).