N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide

C23H26N2O2 — CID 51070040

IUPACN-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2cc(-c3ccc(C)c(C)c3)on2)C(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-15(2)25(23(26)19-9-6-16(3)7-10-19)14-21-13-22(27-24-21)20-11-8-17(4)18(5)12-20/h6-13,15H,14H2,1-5H3
InChIKeyPDSJKCLEJCBGBU-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.32
Rot. Bonds5

About N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide

N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide (PubChem CID 51070040) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
PubChem CID51070040
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2cc(-c3ccc(C)c(C)c3)on2)C(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-15(2)25(23(26)19-9-6-16(3)7-10-19)14-21-13-22(27-24-21)20-11-8-17(4)18(5)12-20/h6-13,15H,14H2,1-5H3
InChIKeyPDSJKCLEJCBGBU-UHFFFAOYSA-N
XLogP5.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
CID 51070319
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
2-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]acetic acid
CID 28808487
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 51070384
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 6494658
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethyl-N-propan-2-ylbenzamide
CID 6494890
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 1243431
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070402
2-fluoro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46111583

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide (CID 51070040) is N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(Cc2cc(-c3ccc(C)c(C)c3)on2)C(C)C)cc1.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is PDSJKCLEJCBGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(2)25(23(26)19-9-6-16(3)7-10-19)14-21-13-22(27-24-21)20-11-8-17(4)18(5)12-20/h6-13,15H,14H2,1-5H3.
What are the key properties of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 51070040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).