3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide

C26H28ClN3O4 — CID 112807624

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1
InChIInChI=1S/C26H28ClN3O4/c1-2-33-22-9-5-19(6-10-22)26(32)30-15-13-21(14-16-30)29-24(31)11-12-25-28-17-23(34-25)18-3-7-20(27)8-4-18/h3-10,17,21H,2,11-16H2,1H3,(H,29,31)
InChIKeyGIINHZFOPMJNSQ-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.75
Rot. Bonds8

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 112807624) has the molecular formula C26H28ClN3O4 and a molecular weight of 481.98 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID112807624
Molecular FormulaC26H28ClN3O4
Molecular Weight481.98 g/mol
Exact Mass481.18
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1
InChIInChI=1S/C26H28ClN3O4/c1-2-33-22-9-5-19(6-10-22)26(32)30-15-13-21(14-16-30)29-24(31)11-12-25-28-17-23(34-25)18-3-7-20(27)8-4-18/h3-10,17,21H,2,11-16H2,1H3,(H,29,31)
InChIKeyGIINHZFOPMJNSQ-UHFFFAOYSA-N
XLogP4.75
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 55572146
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
CID 55951696
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 112834506
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120675943
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133150016
N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46476811

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide (CID 112807624) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is GIINHZFOPMJNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4/c1-2-33-22-9-5-19(6-10-22)26(32)30-15-13-21(14-16-30)29-24(31)11-12-25-28-17-23(34-25)18-3-7-20(27)8-4-18/h3-10,17,21H,2,11-16H2,1H3,(H,29,31).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 481.98 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 112807624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).