N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C23H26N2O4 — CID 40812290

IUPACN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCOc1ccc(C[C@@H](NC(=O)Cc2c(C)noc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-15-21(16(2)29-25-15)14-23(26)24-22(18-7-11-20(28-4)12-8-18)13-17-5-9-19(27-3)10-6-17/h5-12,22H,13-14H2,1-4H3,(H,24,26)/t22-/m1/s1
InChIKeyQRZNWKHJQWXFKQ-JOCHJYFZSA-N
MW394.47 g/mol
LogP3.95
Rot. Bonds8

About N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 40812290) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID40812290
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCOc1ccc(C[C@@H](NC(=O)Cc2c(C)noc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-15-21(16(2)29-25-15)14-23(26)24-22(18-7-11-20(28-4)12-8-18)13-17-5-9-19(27-3)10-6-17/h5-12,22H,13-14H2,1-4H3,(H,24,26)/t22-/m1/s1
InChIKeyQRZNWKHJQWXFKQ-JOCHJYFZSA-N
XLogP3.95
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43027694
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 51110901
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 99873792
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
CID 43027703
N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 55717037
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40633985
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31325172
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 40812290) is N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is COc1ccc(C[C@@H](NC(=O)Cc2c(C)noc2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is QRZNWKHJQWXFKQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-21(16(2)29-25-15)14-23(26)24-22(18-7-11-20(28-4)12-8-18)13-17-5-9-19(27-3)10-6-17/h5-12,22H,13-14H2,1-4H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 40812290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).