N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

C23H26N2O3 — CID 51070477

IUPACN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(-c2cc(CN(CC(C)C)C(=O)c3ccc(C)cc3)no2)c1
InChIInChI=1S/C23H26N2O3/c1-16(2)14-25(23(26)18-10-8-17(3)9-11-18)15-20-13-22(28-24-20)19-6-5-7-21(12-19)27-4/h5-13,16H,14-15H2,1-4H3
InChIKeyHMCQOQPYBBSJDC-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.96
Rot. Bonds7

About N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 51070477) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID51070477
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(-c2cc(CN(CC(C)C)C(=O)c3ccc(C)cc3)no2)c1
InChIInChI=1S/C23H26N2O3/c1-16(2)14-25(23(26)18-10-8-17(3)9-11-18)15-20-13-22(28-24-20)19-6-5-7-21(12-19)27-4/h5-13,16H,14-15H2,1-4H3
InChIKeyHMCQOQPYBBSJDC-UHFFFAOYSA-N
XLogP4.96
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070492
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 42823025
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
CID 42823019
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
CID 46111707
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
2-fluoro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46111583
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 51070040

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 51070477) is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is COc1cccc(-c2cc(CN(CC(C)C)C(=O)c3ccc(C)cc3)no2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is HMCQOQPYBBSJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16(2)14-25(23(26)18-10-8-17(3)9-11-18)15-20-13-22(28-24-20)19-6-5-7-21(12-19)27-4/h5-13,16H,14-15H2,1-4H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 378.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 51070477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).