(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H16N4O2S — CID 135928343

IUPAC(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(NC1CC1)[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-15(19-12-8-9-12)14(11-5-2-1-3-6-11)24-17-21-20-16(23-17)13-7-4-10-18-13/h1-7,10,12,14,18H,8-9H2,(H,19,22)/t14-/m0/s1
InChIKeyUXWLFPKAQMAAJA-AWEZNQCLSA-N
MW340.41 g/mol
LogP3.18
Rot. Bonds6

About (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 135928343) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID135928343
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(NC1CC1)[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-15(19-12-8-9-12)14(11-5-2-1-3-6-11)24-17-21-20-16(23-17)13-7-4-10-18-13/h1-7,10,12,14,18H,8-9H2,(H,19,22)/t14-/m0/s1
InChIKeyUXWLFPKAQMAAJA-AWEZNQCLSA-N
XLogP3.18
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
CID 43031737
N-cyclopropyl-2-(4-fluorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16594247
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
(2S)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7801778
(2S)-N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683068
N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524477
methyl 2,4-dimethyl-5-[(2R)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate
CID 135881173
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7805686
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7824763
N-cyclopropyl-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17468752

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 135928343) is (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UXWLFPKAQMAAJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-15(19-12-8-9-12)14(11-5-2-1-3-6-11)24-17-21-20-16(23-17)13-7-4-10-18-13/h1-7,10,12,14,18H,8-9H2,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135928343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).