N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C14H14F2N6O2 — CID 167893790

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cn(C)nc1C(F)F
InChIInChI=1S/C14H14F2N6O2/c1-7-10(19-14(24-7)8-4-17-21(2)5-8)13(23)18-9-6-22(3)20-11(9)12(15)16/h4-6,12H,1-3H3,(H,18,23)
InChIKeyHUNQWUBTOAJJMH-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.31
Rot. Bonds4

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 167893790) has the molecular formula C14H14F2N6O2 and a molecular weight of 336.30 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID167893790
Molecular FormulaC14H14F2N6O2
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cn(C)nc1C(F)F
InChIInChI=1S/C14H14F2N6O2/c1-7-10(19-14(24-7)8-4-17-21(2)5-8)13(23)18-9-6-22(3)20-11(9)12(15)16/h4-6,12H,1-3H3,(H,18,23)
InChIKeyHUNQWUBTOAJJMH-UHFFFAOYSA-N
XLogP2.31
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid
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5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
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N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 119665253
4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-thiol
CID 170193150
4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166221947
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5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154738846
2-(1-methylpyrazol-4-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953946
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 167893790) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cn(C)nc1C(F)F.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is HUNQWUBTOAJJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6O2/c1-7-10(19-14(24-7)8-4-17-21(2)5-8)13(23)18-9-6-22(3)20-11(9)12(15)16/h4-6,12H,1-3H3,(H,18,23).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167893790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).