(2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide

C20H19N3O3S — CID 97002457

IUPAC(2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@H]1C
InChIInChI=1S/C20H19N3O3S/c1-11-10-14(18(21)24)13-6-3-4-7-15(13)23(11)20(25)17-12(2)26-19(22-17)16-8-5-9-27-16/h3-9,11,14H,10H2,1-2H3,(H2,21,24)/t11-,14+/m1/s1
InChIKeyXDJHCRUJFLIELE-RISCZKNCSA-N
MW381.46 g/mol
LogP3.72
Rot. Bonds3

About (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide

(2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 97002457) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID97002457
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@H]1C
InChIInChI=1S/C20H19N3O3S/c1-11-10-14(18(21)24)13-6-3-4-7-15(13)23(11)20(25)17-12(2)26-19(22-17)16-8-5-9-27-16/h3-9,11,14H,10H2,1-2H3,(H2,21,24)/t11-,14+/m1/s1
InChIKeyXDJHCRUJFLIELE-RISCZKNCSA-N
XLogP3.72
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxamide
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[(2S)-2-cyclohexylpyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 52535097
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
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N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95589955
(2S,4S)-1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
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CID 71909794
[(4aS,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 97002453
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N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-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
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ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
CID 89038665

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide (CID 97002457) is (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@H]1C.
What is the InChIKey of (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is XDJHCRUJFLIELE-RISCZKNCSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-11-10-14(18(21)24)13-6-3-4-7-15(13)23(11)20(25)17-12(2)26-19(22-17)16-8-5-9-27-16/h3-9,11,14H,10H2,1-2H3,(H2,21,24)/t11-,14+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
(2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 97002457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).