N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H17N3O4S — CID 166297082

IUPACN-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccccc3)S2(=O)=O)no1
InChIInChI=1S/C15H17N3O4S/c1-11-9-14(17-22-11)15(19)16-10-13-7-8-18(23(13,20)21)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,16,19)
InChIKeyCHTXVRGMEKUUKK-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.32
Rot. Bonds4

About N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 166297082) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID166297082
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccccc3)S2(=O)=O)no1
InChIInChI=1S/C15H17N3O4S/c1-11-9-14(17-22-11)15(19)16-10-13-7-8-18(23(13,20)21)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,16,19)
InChIKeyCHTXVRGMEKUUKK-UHFFFAOYSA-N
XLogP1.32
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-[[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131917051
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CID 70788463
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42377077
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5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 126937418
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45170548
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
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N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130
[(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 146186278
5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 166297082) is N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2CCN(c3ccccc3)S2(=O)=O)no1.
What is the InChIKey of N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CHTXVRGMEKUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11-9-14(17-22-11)15(19)16-10-13-7-8-18(23(13,20)21)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,16,19).
What are the key properties of N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166297082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).