3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide

C19H19N3O4 — CID 86983478

IUPAC3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nnco3)c2)ccc1OC(C)C
InChIInChI=1S/C19H19N3O4/c1-12(2)26-16-8-7-13(10-17(16)24-3)18(23)21-15-6-4-5-14(9-15)19-22-20-11-25-19/h4-12H,1-3H3,(H,21,23)
InChIKeyFPHBDABKERPLQH-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.78
Rot. Bonds6

About 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide

3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 86983478) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID86983478
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nnco3)c2)ccc1OC(C)C
InChIInChI=1S/C19H19N3O4/c1-12(2)26-16-8-7-13(10-17(16)24-3)18(23)21-15-6-4-5-14(9-15)19-22-20-11-25-19/h4-12H,1-3H3,(H,21,23)
InChIKeyFPHBDABKERPLQH-UHFFFAOYSA-N
XLogP3.78
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71931594
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(1,3,4-oxadiazol-2-yl)benzoate
CID 8999392
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
4-(diethylsulfamoyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30870727
4-(difluoromethoxy)-3-methoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41357494

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (CID 86983478) is 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2cccc(-c3nnco3)c2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is FPHBDABKERPLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(2)26-16-8-7-13(10-17(16)24-3)18(23)21-15-6-4-5-14(9-15)19-22-20-11-25-19/h4-12H,1-3H3,(H,21,23).
What are the key properties of 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 353.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 86983478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).