N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide

C12H13N3O2 — CID 139227801

IUPACN-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)c1nnc(C)o1
InChIInChI=1S/C12H13N3O2/c1-8(16)13-11(10-6-4-3-5-7-10)12-15-14-9(2)17-12/h3-7,11H,1-2H3,(H,13,16)/t11-/m0/s1
InChIKeyCQTFYWNYBMBRHJ-NSHDSACASA-N
MW231.25 g/mol
LogP1.60
Rot. Bonds3

About N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide

N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide (PubChem CID 139227801) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide
PubChem CID139227801
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)c1nnc(C)o1
InChIInChI=1S/C12H13N3O2/c1-8(16)13-11(10-6-4-3-5-7-10)12-15-14-9(2)17-12/h3-7,11H,1-2H3,(H,13,16)/t11-/m0/s1
InChIKeyCQTFYWNYBMBRHJ-NSHDSACASA-N
XLogP1.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorobenzyl)-N-phenethyl-1,3,4-oxadiazole-2-carboxamide
CID 16017897
N-(1-phenylethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16192293
(r)-2-amino-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)propanamide
CID 132279660
(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 134139607
(2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 134154194
5-[(4-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017929
5-[(3-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017909
5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 5307743
5-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017901
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 2941372
5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
CID 5307558
N-benzyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017907

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide (CID 139227801) is N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide is CC(=O)N[C@@H](c1ccccc1)c1nnc(C)o1.
What is the InChIKey of N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is CQTFYWNYBMBRHJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(16)13-11(10-6-4-3-5-7-10)12-15-14-9(2)17-12/h3-7,11H,1-2H3,(H,13,16)/t11-/m0/s1.
What are the key properties of N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide?
N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 139227801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).