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

C18H16N4O3 — CID 927126

IUPAC4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nonc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N4O3/c1-11-3-7-13(8-4-11)17(23)19-15-16(22-25-21-15)20-18(24)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyQDSUILJLKVRCNS-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.19
Rot. Bonds4

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

4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 927126) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID927126
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nonc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N4O3/c1-11-3-7-13(8-4-11)17(23)19-15-16(22-25-21-15)20-18(24)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyQDSUILJLKVRCNS-UHFFFAOYSA-N
XLogP3.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide (CID 927126) is 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide is Cc1ccc(C(=O)Nc2nonc2NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is QDSUILJLKVRCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-3-7-13(8-4-11)17(23)19-15-16(22-25-21-15)20-18(24)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide?
4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 336.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-methylbenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 927126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).