2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide

C29H30N2O3 — CID 71247898

IUPAC2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C29H30N2O3/c1-4-27-26(21(3)34-31-27)19-33-24-16-14-22(15-17-24)18-28(32)30-29(23-11-6-5-7-12-23)25-13-9-8-10-20(25)2/h5-17,29H,4,18-19H2,1-3H3,(H,30,32)
InChIKeyNDDHHDBTYBHODQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.88
Rot. Bonds9

About 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide

2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 71247898) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID71247898
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C29H30N2O3/c1-4-27-26(21(3)34-31-27)19-33-24-16-14-22(15-17-24)18-28(32)30-29(23-11-6-5-7-12-23)25-13-9-8-10-20(25)2/h5-17,29H,4,18-19H2,1-3H3,(H,30,32)
InChIKeyNDDHHDBTYBHODQ-UHFFFAOYSA-N
XLogP5.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493658
N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493503
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
CID 71493816
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
2-(4-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 38020716
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
CID 90186375
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92684457
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide (CID 71247898) is 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide is CCc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is NDDHHDBTYBHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-4-27-26(21(3)34-31-27)19-33-24-16-14-22(15-17-24)18-28(32)30-29(23-11-6-5-7-12-23)25-13-9-8-10-20(25)2/h5-17,29H,4,18-19H2,1-3H3,(H,30,32).
What are the key properties of 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 71247898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).