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

C23H25N3O3 — CID 40898420

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESC=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O3/c1-4-14-28-20-12-10-18(11-13-20)16-26(3)22(19-8-6-5-7-9-19)23(27)24-21-15-17(2)29-25-21/h4-13,15,22H,1,14,16H2,2-3H3,(H,24,25,27)/t22-/m1/s1
InChIKeyIYCCDZZPIKAZME-JOCHJYFZSA-N
MW391.47 g/mol
LogP4.36
Rot. Bonds9

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

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide (PubChem CID 40898420) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
PubChem CID40898420
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESC=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O3/c1-4-14-28-20-12-10-18(11-13-20)16-26(3)22(19-8-6-5-7-9-19)23(27)24-21-15-17(2)29-25-21/h4-13,15,22H,1,14,16H2,2-3H3,(H,24,25,27)/t22-/m1/s1
InChIKeyIYCCDZZPIKAZME-JOCHJYFZSA-N
XLogP4.36
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34710983
N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
CID 17498608
2-[(2-amino-2-oxoethyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 56814559
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166219948
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
CID 16576213
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 38171330
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17412930
(2R)-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40880591
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenoxyethylsulfanyl)-2-phenylacetamide
CID 51926728
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide (CID 40898420) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide is C=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is IYCCDZZPIKAZME-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-14-28-20-12-10-18(11-13-20)16-26(3)22(19-8-6-5-7-9-19)23(27)24-21-15-17(2)29-25-21/h4-13,15,22H,1,14,16H2,2-3H3,(H,24,25,27)/t22-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 391.47 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 40898420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).