5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide

C10H10N4O2 — CID 102790051

IUPAC5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CNc2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c11-9(15)10-13-8(16-14-10)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2,(H2,11,15)
InChIKeySGVWDNSFPWAATO-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.78
Rot. Bonds4

About 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide

5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790051) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790051
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CNc2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c11-9(15)10-13-8(16-14-10)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2,(H2,11,15)
InChIKeySGVWDNSFPWAATO-UHFFFAOYSA-N
XLogP0.78
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-anilinoethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632052
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790166
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
N-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 113291071
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791051
N-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65130461
N-[[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 136984338

Frequently Asked Questions

What is the IUPAC name of 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide (CID 102790051) is 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(CNc2ccccc2)n1.
What is the InChIKey of 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SGVWDNSFPWAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-9(15)10-13-8(16-14-10)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2,(H2,11,15).
What are the key properties of 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide?
5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).