N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide

C20H19N3O4 — CID 53041755

IUPACN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-9-8-14(11-17(16)26-2)19(24)21-15-5-3-4-13(10-15)18-22-20(27-23-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,21,24)
InChIKeyZXRQVRYKSHXNRL-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.88
Rot. Bonds6

About N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 53041755) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID53041755
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-9-8-14(11-17(16)26-2)19(24)21-15-5-3-4-13(10-15)18-22-20(27-23-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,21,24)
InChIKeyZXRQVRYKSHXNRL-UHFFFAOYSA-N
XLogP3.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea
CID 167785307
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
CID 53041832
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 50779005
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 53041803

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide (CID 53041755) is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC.
What is the InChIKey of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is ZXRQVRYKSHXNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-16-9-8-14(11-17(16)26-2)19(24)21-15-5-3-4-13(10-15)18-22-20(27-23-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide?
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 365.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 53041755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).