2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide

C11H14N4O2 — CID 86771726

IUPAC2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cn[nH]c2C)c(C)o1
InChIInChI=1S/C11H14N4O2/c1-6-9(5-13-15-6)4-12-11(16)10-7(2)17-8(3)14-10/h5H,4H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyUMSTXIRSLGGCFL-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.25
Rot. Bonds3

About 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 86771726) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID86771726
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cn[nH]c2C)c(C)o1
InChIInChI=1S/C11H14N4O2/c1-6-9(5-13-15-6)4-12-11(16)10-7(2)17-8(3)14-10/h5H,4H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyUMSTXIRSLGGCFL-UHFFFAOYSA-N
XLogP1.25
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide (CID 86771726) is 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCc2cn[nH]c2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UMSTXIRSLGGCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-9(5-13-15-6)4-12-11(16)10-7(2)17-8(3)14-10/h5H,4H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86771726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).