(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

C13H14N4O2S — CID 100815757

IUPAC(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCn1ccc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)n1
InChIInChI=1S/C13H14N4O2S/c1-13(12(18)14-11-5-6-17(2)15-11)8-9(16-19-13)10-4-3-7-20-10/h3-7H,8H2,1-2H3,(H,14,15,18)/t13-/m1/s1
InChIKeyYHFIOWQPKCVKNJ-CYBMUJFWSA-N
MW290.35 g/mol
LogP2.00
Rot. Bonds3

About (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815757) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815757
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCn1ccc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)n1
InChIInChI=1S/C13H14N4O2S/c1-13(12(18)14-11-5-6-17(2)15-11)8-9(16-19-13)10-4-3-7-20-10/h3-7H,8H2,1-2H3,(H,14,15,18)/t13-/m1/s1
InChIKeyYHFIOWQPKCVKNJ-CYBMUJFWSA-N
XLogP2.00
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-5-methyl-N-(1-methylpyrazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551864
(5S)-5-methyl-N-(4-methyl-2-pyridinyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815777
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551808
(5R)-5-methyl-N-(3-pyrazol-1-ylpropyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815742
(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815760
(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815768
N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551812
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551896
(2-methylpiperidin-1-yl)-(5-methyl-3-thiophen-2-yl-4H-1,2-oxazol-5-yl)methanone
CID 102551898
N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946145
(5S)-N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465780
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (CID 100815757) is (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is Cn1ccc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)n1.
What is the InChIKey of (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is YHFIOWQPKCVKNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-13(12(18)14-11-5-6-17(2)15-11)8-9(16-19-13)10-4-3-7-20-10/h3-7H,8H2,1-2H3,(H,14,15,18)/t13-/m1/s1.
What are the key properties of (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).