N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide

C23H27N3O5 — CID 16576213

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C)C(C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-15-13-19(25-31-15)24-23(27)20(16-9-7-6-8-10-16)26(2)14-17-11-12-18(28-3)22(30-5)21(17)29-4/h6-13,20H,14H2,1-5H3,(H,24,25,27)
InChIKeyXNKUEYVQQCQSTL-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.82
Rot. Bonds9

About N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide (PubChem CID 16576213) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
PubChem CID16576213
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C)C(C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-15-13-19(25-31-15)24-23(27)20(16-9-7-6-8-10-16)26(2)14-17-11-12-18(28-3)22(30-5)21(17)29-4/h6-13,20H,14H2,1-5H3,(H,24,25,27)
InChIKeyXNKUEYVQQCQSTL-UHFFFAOYSA-N
XLogP3.82
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea
CID 18101661
2-[(2-amino-2-oxoethyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 56814559
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34710983
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166219948
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
CID 40898420
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8516586
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 38171330

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide (CID 16576213) is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide is COc1ccc(CN(C)C(C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1OC.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is XNKUEYVQQCQSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-15-13-19(25-31-15)24-23(27)20(16-9-7-6-8-10-16)26(2)14-17-11-12-18(28-3)22(30-5)21(17)29-4/h6-13,20H,14H2,1-5H3,(H,24,25,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 425.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 16576213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).