N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H20N4O2S — CID 71938325

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H20N4O2S/c1-9(2)21-11(4)14(10(3)20-21)18-16(22)15-12(5)23-17(19-15)13-7-6-8-24-13/h6-9H,1-5H3,(H,18,22)
InChIKeyCGXLLDABKPBCPF-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.36
Rot. Bonds4

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 71938325) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID71938325
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H20N4O2S/c1-9(2)21-11(4)14(10(3)20-21)18-16(22)15-12(5)23-17(19-15)13-7-6-8-24-13/h6-9H,1-5H3,(H,18,22)
InChIKeyCGXLLDABKPBCPF-UHFFFAOYSA-N
XLogP4.36
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55755678
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CID 56507040
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706690
N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704503
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 55719198
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
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1-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanol
CID 69240115
5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 55711744
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 71938325) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1nn(C(C)C)c(C)c1NC(=O)c1nc(-c2cccs2)oc1C.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is CGXLLDABKPBCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-9(2)21-11(4)14(10(3)20-21)18-16(22)15-12(5)23-17(19-15)13-7-6-8-24-13/h6-9H,1-5H3,(H,18,22).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71938325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).