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

C21H20N4O4 — CID 18140921

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)no1
InChIInChI=1S/C21H20N4O4/c1-13-22-19(25-29-13)12-28-18-5-3-2-4-17(18)21(27)24-16-10-8-15(9-11-16)23-20(26)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyLXXVHDFYGKQPBF-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.56
Rot. Bonds7

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

N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 18140921) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID18140921
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)no1
InChIInChI=1S/C21H20N4O4/c1-13-22-19(25-29-13)12-28-18-5-3-2-4-17(18)21(27)24-16-10-8-15(9-11-16)23-20(26)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyLXXVHDFYGKQPBF-UHFFFAOYSA-N
XLogP3.56
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591774
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-quinolin-3-ylbenzamide
CID 31031173
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 16598110
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16598028
N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46531672
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428154
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 18140921) is N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)no1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is LXXVHDFYGKQPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-22-19(25-29-13)12-28-18-5-3-2-4-17(18)21(27)24-16-10-8-15(9-11-16)23-20(26)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 392.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 18140921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).