2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide

C22H23ClN2O3 — CID 90370344

IUPAC2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1oc(-c2ccc(CCO)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O3/c1-14(2)24-20(27)13-19-21(17-4-3-5-18(23)12-17)25-22(28-19)16-8-6-15(7-9-16)10-11-26/h3-9,12,14,26H,10-11,13H2,1-2H3,(H,24,27)
InChIKeyFITHJNWGFYBRJN-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.26
Rot. Bonds7

About 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide

2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide (PubChem CID 90370344) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide
PubChem CID90370344
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1oc(-c2ccc(CCO)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O3/c1-14(2)24-20(27)13-19-21(17-4-3-5-18(23)12-17)25-22(28-19)16-8-6-15(7-9-16)10-11-26/h3-9,12,14,26H,10-11,13H2,1-2H3,(H,24,27)
InChIKeyFITHJNWGFYBRJN-UHFFFAOYSA-N
XLogP4.26
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
CID 90370428
2-[5-(3-chlorophenyl)-2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 90370597
methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
CID 10517811
2-[2-(3-chlorophenyl)-4-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86581751
2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide
CID 71555436
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
CID 90112663
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9382608
1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778455
5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
CID 154249541
2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322383
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 16900521
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide (CID 90370344) is 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1oc(-c2ccc(CCO)cc2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide?
The InChIKey is FITHJNWGFYBRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-14(2)24-20(27)13-19-21(17-4-3-5-18(23)12-17)25-22(28-19)16-8-6-15(7-9-16)10-11-26/h3-9,12,14,26H,10-11,13H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide?
2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide has a molecular weight of 398.89 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).