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

C9H10N4O2 — CID 79194088

IUPAC2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccn[nH]2)o1
InChIInChI=1S/C9H10N4O2/c1-5-8(15-6(2)11-5)9(14)12-7-3-4-10-13-7/h3-4H,1-2H3,(H2,10,12,13,14)
InChIKeyPALXCLWZZRQDFM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.27
Rot. Bonds2

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

2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 79194088) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID79194088
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccn[nH]2)o1
InChIInChI=1S/C9H10N4O2/c1-5-8(15-6(2)11-5)9(14)12-7-3-4-10-13-7/h3-4H,1-2H3,(H2,10,12,13,14)
InChIKeyPALXCLWZZRQDFM-UHFFFAOYSA-N
XLogP1.27
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide (CID 79194088) is 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccn[nH]2)o1.
What is the InChIKey of 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is PALXCLWZZRQDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-8(15-6(2)11-5)9(14)12-7-3-4-10-13-7/h3-4H,1-2H3,(H2,10,12,13,14).
What are the key properties of 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79194088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).