2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide

C19H17N7O2 — CID 140941281

IUPAC2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESCc1noc(C)c1-c1cnn(CC(=O)Nc2ccc(-c3cncnc3)cn2)c1
InChIInChI=1S/C19H17N7O2/c1-12-19(13(2)28-25-12)16-8-23-26(9-16)10-18(27)24-17-4-3-14(7-22-17)15-5-20-11-21-6-15/h3-9,11H,10H2,1-2H3,(H,22,24,27)
InChIKeyKDJBFPSHLQMANT-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide

2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (PubChem CID 140941281) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
PubChem CID140941281
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESCc1noc(C)c1-c1cnn(CC(=O)Nc2ccc(-c3cncnc3)cn2)c1
InChIInChI=1S/C19H17N7O2/c1-12-19(13(2)28-25-12)16-8-23-26(9-16)10-18(27)24-17-4-3-14(7-22-17)15-5-20-11-21-6-15/h3-9,11H,10H2,1-2H3,(H,22,24,27)
InChIKeyKDJBFPSHLQMANT-UHFFFAOYSA-N
XLogP2.65
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (CID 140941281) is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is Cc1noc(C)c1-c1cnn(CC(=O)Nc2ccc(-c3cncnc3)cn2)c1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The InChIKey is KDJBFPSHLQMANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-12-19(13(2)28-25-12)16-8-23-26(9-16)10-18(27)24-17-4-3-14(7-22-17)15-5-20-11-21-6-15/h3-9,11H,10H2,1-2H3,(H,22,24,27).
What are the key properties of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide has a molecular weight of 375.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 140941281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).