N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide

C19H21N3O4S — CID 46970055

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C19H21N3O4S/c1-5-12-17(14(6-2)26-22-12)18(23)21-19-20-13(10-27-19)11-7-8-15(24-3)16(9-11)25-4/h7-10H,5-6H2,1-4H3,(H,20,21,23)
InChIKeyLWPFRVBOUMROSI-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.19
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide (PubChem CID 46970055) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide
PubChem CID46970055
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C19H21N3O4S/c1-5-12-17(14(6-2)26-22-12)18(23)21-19-20-13(10-27-19)11-7-8-15(24-3)16(9-11)25-4/h7-10H,5-6H2,1-4H3,(H,20,21,23)
InChIKeyLWPFRVBOUMROSI-UHFFFAOYSA-N
XLogP4.19
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-Acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 1285735
(E)-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2294485
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 2324567
N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
CID 2365274
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649214
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666526
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8511739
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9142272
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17472229
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24686381
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979980
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25163693

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide (CID 46970055) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide is CCc1noc(CC)c1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide?
The InChIKey is LWPFRVBOUMROSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-5-12-17(14(6-2)26-22-12)18(23)21-19-20-13(10-27-19)11-7-8-15(24-3)16(9-11)25-4/h7-10H,5-6H2,1-4H3,(H,20,21,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46970055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).