(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C22H25N3O3 — CID 34714704

IUPAC(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1CN(C)[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-15-10-11-19(27-4)18(12-15)14-25(3)21(17-8-6-5-7-9-17)22(26)23-20-13-16(2)28-24-20/h5-13,21H,14H2,1-4H3,(H,23,24,26)/t21-/m1/s1
InChIKeyXHIOPFCSWQUEHS-OAQYLSRUSA-N
MW379.46 g/mol
LogP4.11
Rot. Bonds7

About (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 34714704) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID34714704
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1CN(C)[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-15-10-11-19(27-4)18(12-15)14-25(3)21(17-8-6-5-7-9-17)22(26)23-20-13-16(2)28-24-20/h5-13,21H,14H2,1-4H3,(H,23,24,26)/t21-/m1/s1
InChIKeyXHIOPFCSWQUEHS-OAQYLSRUSA-N
XLogP4.11
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
CID 16576213
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
CID 8805645
(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
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-[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-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 38171330
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 34714704) is (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is COc1ccc(C)cc1CN(C)[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is XHIOPFCSWQUEHS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-10-11-19(27-4)18(12-15)14-25(3)21(17-8-6-5-7-9-17)22(26)23-20-13-16(2)28-24-20/h5-13,21H,14H2,1-4H3,(H,23,24,26)/t21-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 379.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 34714704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).