3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C18H17N3O3 — CID 110319255

IUPAC3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nnc(-c3ccccc3C)o2)c1
InChIInChI=1S/C18H17N3O3/c1-12-6-3-4-9-15(12)18-21-20-16(24-18)11-19-17(22)13-7-5-8-14(10-13)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyBMNYFAUQUGFTAS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.98
Rot. Bonds5

About 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110319255) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110319255
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nnc(-c3ccccc3C)o2)c1
InChIInChI=1S/C18H17N3O3/c1-12-6-3-4-9-15(12)18-21-20-16(24-18)11-19-17(22)13-7-5-8-14(10-13)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyBMNYFAUQUGFTAS-UHFFFAOYSA-N
XLogP2.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 92598926
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
2,4-dimethoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652051
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
3-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319675
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110319255) is 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1cccc(C(=O)NCc2nnc(-c3ccccc3C)o2)c1.
What is the InChIKey of 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is BMNYFAUQUGFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-6-3-4-9-15(12)18-21-20-16(24-18)11-19-17(22)13-7-5-8-14(10-13)23-2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110319255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).