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

C19H18N4O3 — CID 71800425

IUPACN-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
SMILESCc1noc(Cc2ccccc2NC(=O)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C19H18N4O3/c1-13-21-18(26-23-13)11-15-9-5-6-10-16(15)22-17(24)12-20-19(25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,25)(H,22,24)
InChIKeyQZCGHXKCBLAHBU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.34
Rot. Bonds6

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

N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide (PubChem CID 71800425) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
PubChem CID71800425
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
SMILESCc1noc(Cc2ccccc2NC(=O)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C19H18N4O3/c1-13-21-18(26-23-13)11-15-9-5-6-10-16(15)22-17(24)12-20-19(25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,25)(H,22,24)
InChIKeyQZCGHXKCBLAHBU-UHFFFAOYSA-N
XLogP2.34
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide (CID 71800425) is N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide is Cc1noc(Cc2ccccc2NC(=O)CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is QZCGHXKCBLAHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-21-18(26-23-13)11-15-9-5-6-10-16(15)22-17(24)12-20-19(25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,25)(H,22,24).
What are the key properties of N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide?
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 71800425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).