3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide

C15H18N4O3S — CID 131901508

IUPAC3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)CSc2nnc(C)o2)c1
InChIInChI=1S/C15H18N4O3S/c1-10-4-3-5-12(8-10)17-13(20)6-7-16-14(21)9-23-15-19-18-11(2)22-15/h3-5,8H,6-7,9H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyDZZDOOOEOILZMU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.92
Rot. Bonds7

About 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide

3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide (PubChem CID 131901508) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
PubChem CID131901508
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)CSc2nnc(C)o2)c1
InChIInChI=1S/C15H18N4O3S/c1-10-4-3-5-12(8-10)17-13(20)6-7-16-14(21)9-23-15-19-18-11(2)22-15/h3-5,8H,6-7,9H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyDZZDOOOEOILZMU-UHFFFAOYSA-N
XLogP1.92
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 7211382
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 5030464
N-(3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7165769
2-[[5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 92531422
N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 62255609
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356
N-(3-methoxyphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7612561
N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 3976039
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
CID 131915937

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide (CID 131901508) is 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCNC(=O)CSc2nnc(C)o2)c1.
What is the InChIKey of 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide?
The InChIKey is DZZDOOOEOILZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-4-3-5-12(8-10)17-13(20)6-7-16-14(21)9-23-15-19-18-11(2)22-15/h3-5,8H,6-7,9H2,1-2H3,(H,16,21)(H,17,20).
What are the key properties of 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide?
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide has a molecular weight of 334.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 131901508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).