3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide

C17H18ClN3O3 — CID 60616967

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CN1
InChIInChI=1S/C17H18ClN3O3/c18-13-4-2-1-3-12(13)14-10-20-17(24-14)8-7-16(23)21-11-5-6-15(22)19-9-11/h1-4,10-11H,5-9H2,(H,19,22)(H,21,23)
InChIKeyDSVZPTXGKOEOOH-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.32
Rot. Bonds5

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 60616967) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID60616967
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CN1
InChIInChI=1S/C17H18ClN3O3/c18-13-4-2-1-3-12(13)14-10-20-17(24-14)8-7-16(23)21-11-5-6-15(22)19-9-11/h1-4,10-11H,5-9H2,(H,19,22)(H,21,23)
InChIKeyDSVZPTXGKOEOOH-UHFFFAOYSA-N
XLogP2.32
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2S)-2-ethylcyclopropyl]propanamide
CID 95628031
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2R)-2-ethylcyclopropyl]propanamide
CID 95628030
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120577468
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451068
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide
CID 51308137
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
3-(2-hydroxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 55211402
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide (CID 60616967) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide is O=C1CCC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CN1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is DSVZPTXGKOEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-13-4-2-1-3-12(13)14-10-20-17(24-14)8-7-16(23)21-11-5-6-15(22)19-9-11/h1-4,10-11H,5-9H2,(H,19,22)(H,21,23).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 347.80 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 60616967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).