N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C19H21N3O2S — CID 56530199

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3sc(C(C)C)nc3C)on2)cc1
InChIInChI=1S/C19H21N3O2S/c1-5-13-6-8-14(9-7-13)15-10-16(24-22-15)21-18(23)17-12(4)20-19(25-17)11(2)3/h6-11H,5H2,1-4H3,(H,21,23)
InChIKeyYYHXYVYLTHREQG-UHFFFAOYSA-N
MW355.46 g/mol
LogP5.04
Rot. Bonds5

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 56530199) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID56530199
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3sc(C(C)C)nc3C)on2)cc1
InChIInChI=1S/C19H21N3O2S/c1-5-13-6-8-14(9-7-13)15-10-16(24-22-15)21-18(23)17-12(4)20-19(25-17)11(2)3/h6-11H,5H2,1-4H3,(H,21,23)
InChIKeyYYHXYVYLTHREQG-UHFFFAOYSA-N
XLogP5.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56544732
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 56530036
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 56569842
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 56529981
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544823

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 56530199) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2cc(NC(=O)c3sc(C(C)C)nc3C)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YYHXYVYLTHREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-5-13-6-8-14(9-7-13)15-10-16(24-22-15)21-18(23)17-12(4)20-19(25-17)11(2)3/h6-11H,5H2,1-4H3,(H,21,23).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56530199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).