N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide

C18H17N3O4 — CID 5094803

IUPACN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESCOc1ccccc1-c1nnc(NC(=O)CCOc2ccccc2)o1
InChIInChI=1S/C18H17N3O4/c1-23-15-10-6-5-9-14(15)17-20-21-18(25-17)19-16(22)11-12-24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyIHBKGNNDDBGYIU-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.15
Rot. Bonds7

About N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (PubChem CID 5094803) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
PubChem CID5094803
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESCOc1ccccc1-c1nnc(NC(=O)CCOc2ccccc2)o1
InChIInChI=1S/C18H17N3O4/c1-23-15-10-6-5-9-14(15)17-20-21-18(25-17)19-16(22)11-12-24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyIHBKGNNDDBGYIU-UHFFFAOYSA-N
XLogP3.15
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 4075839
2-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7544601
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4189128
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 16854243
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
2,3-dimethoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7243979
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 43973201
N-(2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334805
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43972062

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (CID 5094803) is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is COc1ccccc1-c1nnc(NC(=O)CCOc2ccccc2)o1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The InChIKey is IHBKGNNDDBGYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-15-10-6-5-9-14(15)17-20-21-18(25-17)19-16(22)11-12-24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide has a molecular weight of 339.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is sourced from PubChem (CID 5094803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).