N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

C23H26N2O4 — CID 110629519

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCOc1cccc(C(O)CN(C)C(=O)Cc2nc(-c3ccccc3C)oc2C)c1
InChIInChI=1S/C23H26N2O4/c1-15-8-5-6-11-19(15)23-24-20(16(2)29-23)13-22(27)25(3)14-21(26)17-9-7-10-18(12-17)28-4/h5-12,21,26H,13-14H2,1-4H3
InChIKeyXTRCSMJUVLAUIX-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.70
Rot. Bonds7

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110629519) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110629519
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCOc1cccc(C(O)CN(C)C(=O)Cc2nc(-c3ccccc3C)oc2C)c1
InChIInChI=1S/C23H26N2O4/c1-15-8-5-6-11-19(15)23-24-20(16(2)29-23)13-22(27)25(3)14-21(26)17-9-7-10-18(12-17)28-4/h5-12,21,26H,13-14H2,1-4H3
InChIKeyXTRCSMJUVLAUIX-UHFFFAOYSA-N
XLogP3.70
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411840
(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949
methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424102
2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629562
3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110629556
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110629576
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51337132
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol
CID 111824414
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
CID 110629527

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110629519) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is COc1cccc(C(O)CN(C)C(=O)Cc2nc(-c3ccccc3C)oc2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is XTRCSMJUVLAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-8-5-6-11-19(15)23-24-20(16(2)29-23)13-22(27)25(3)14-21(26)17-9-7-10-18(12-17)28-4/h5-12,21,26H,13-14H2,1-4H3.
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110629519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).