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

C21H22N2O3 — CID 110648494

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
SMILESCOc1cccc(CCNC(=O)Cc2oc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H22N2O3/c1-15-19(26-21(23-15)17-8-4-3-5-9-17)14-20(24)22-12-11-16-7-6-10-18(13-16)25-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChIKeyLBQGUOQDMWIWLG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds7

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

N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide (PubChem CID 110648494) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
PubChem CID110648494
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
SMILESCOc1cccc(CCNC(=O)Cc2oc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H22N2O3/c1-15-19(26-21(23-15)17-8-4-3-5-9-17)14-20(24)22-12-11-16-7-6-10-18(13-16)25-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChIKeyLBQGUOQDMWIWLG-UHFFFAOYSA-N
XLogP3.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 47041902
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide
CID 110641153
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide (CID 110648494) is N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide is COc1cccc(CCNC(=O)Cc2oc(-c3ccccc3)nc2C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is LBQGUOQDMWIWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-19(26-21(23-15)17-8-4-3-5-9-17)14-20(24)22-12-11-16-7-6-10-18(13-16)25-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 110648494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).