5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide

C21H21N3O3 — CID 166367611

IUPAC5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCc1cc(C(N)=O)cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H21N3O3/c1-13-10-16(19(22)25)12-17(11-13)20(26)23-9-8-18-14(2)27-21(24-18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyCUVKLCOMCXHHTO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.03
Rot. Bonds6

About 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide

5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 166367611) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
PubChem CID166367611
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCc1cc(C(N)=O)cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H21N3O3/c1-13-10-16(19(22)25)12-17(11-13)20(26)23-9-8-18-14(2)27-21(24-18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyCUVKLCOMCXHHTO-UHFFFAOYSA-N
XLogP3.03
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,5-dicarboxamide
CID 167750168
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
CID 166218441
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146122787
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,3-dicarboxamide
CID 167874339
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166296297
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
CID 110641185
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
4-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]furan-3-carboxamide
CID 166367638
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide (CID 166367611) is 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide is Cc1cc(C(N)=O)cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is CUVKLCOMCXHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-10-16(19(22)25)12-17(11-13)20(26)23-9-8-18-14(2)27-21(24-18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H2,22,25)(H,23,26).
What are the key properties of 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide?
5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 166367611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).