N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

C16H18N4O3S — CID 42441669

IUPACN-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCCO2)c1
InChIInChI=1S/C16H18N4O3S/c21-15(12-24-14-5-2-1-3-6-14)18-13-9-17-19(10-13)11-16(22)20-7-4-8-23-20/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,18,21)
InChIKeyIUWRLOZNCRJGSD-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.78
Rot. Bonds6

About N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (PubChem CID 42441669) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
PubChem CID42441669
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCCO2)c1
InChIInChI=1S/C16H18N4O3S/c21-15(12-24-14-5-2-1-3-6-14)18-13-9-17-19(10-13)11-16(22)20-7-4-8-23-20/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,18,21)
InChIKeyIUWRLOZNCRJGSD-UHFFFAOYSA-N
XLogP1.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide
CID 47044363
2-(4-acetamidopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 72139165
N-[1-[2-(4-methylsulfanylanilino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 75370027
N-(2-phenylsulfanylpropyl)-2-pyrazol-1-ylacetamide
CID 71994101
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(p-fluorophenylthio)acetamide
CID 97428102
N-[1-(2-{4-[(4-fluorophenyl)thio]-1-piperidinyl}-2-oxoethyl)-1H-pyrazol-4-yl]-2-(phenylthio)acetamide
CID 26354395
N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide
CID 49055255
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 49087216
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 49092901
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 49092967
2-phenylsulfanyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 60324065
2-[4-[[2-(2-Fluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetic acid
CID 61017712

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (CID 42441669) is N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCCO2)c1.
What is the InChIKey of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The InChIKey is IUWRLOZNCRJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-15(12-24-14-5-2-1-3-6-14)18-13-9-17-19(10-13)11-16(22)20-7-4-8-23-20/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,18,21).
What are the key properties of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide has a molecular weight of 346.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 42441669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).