2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide

C16H18N4O3S — CID 94363988

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)N[C@H]2CCCNC2=O)no1
InChIInChI=1S/C16H18N4O3S/c1-10-18-14(20-23-10)9-24-13-7-3-2-5-11(13)15(21)19-12-6-4-8-17-16(12)22/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,17,22)(H,19,21)/t12-/m0/s1
InChIKeyCQFFZBQXXQWQSI-LBPRGKRZSA-N
MW346.41 g/mol
LogP1.68
Rot. Bonds5

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide (PubChem CID 94363988) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
PubChem CID94363988
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)N[C@H]2CCCNC2=O)no1
InChIInChI=1S/C16H18N4O3S/c1-10-18-14(20-23-10)9-24-13-7-3-2-5-11(13)15(21)19-12-6-4-8-17-16(12)22/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,17,22)(H,19,21)/t12-/m0/s1
InChIKeyCQFFZBQXXQWQSI-LBPRGKRZSA-N
XLogP1.68
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 94363987
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 46419788
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
CID 107911556
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 46449097
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55809513
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55591110
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
CID 39702738
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzamide
CID 36943338

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide (CID 94363988) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide is Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCCNC2=O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is CQFFZBQXXQWQSI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-18-14(20-23-10)9-24-13-7-3-2-5-11(13)15(21)19-12-6-4-8-17-16(12)22/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,17,22)(H,19,21)/t12-/m0/s1.
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 346.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 94363988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).