N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H19ClN2O3 — CID 75390139

IUPACN-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc(Cl)cc1CCNC(=O)Cc1cc(C)on1
InChIInChI=1S/C16H19ClN2O3/c1-3-21-15-5-4-13(17)9-12(15)6-7-18-16(20)10-14-8-11(2)22-19-14/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,18,20)
InChIKeyUNPPBVRCELPMNA-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 75390139) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID75390139
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc(Cl)cc1CCNC(=O)Cc1cc(C)on1
InChIInChI=1S/C16H19ClN2O3/c1-3-21-15-5-4-13(17)9-12(15)6-7-18-16(20)10-14-8-11(2)22-19-14/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,18,20)
InChIKeyUNPPBVRCELPMNA-UHFFFAOYSA-N
XLogP2.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120551499
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51097032
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-methylphenyl)butyl]acetamide
CID 110627918
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
CID 82041837
4-[2-(5-chloro-2-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122032254
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 75390139) is N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOc1ccc(Cl)cc1CCNC(=O)Cc1cc(C)on1.
What is the InChIKey of N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UNPPBVRCELPMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-3-21-15-5-4-13(17)9-12(15)6-7-18-16(20)10-14-8-11(2)22-19-14/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 322.79 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 75390139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).