3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide

C17H26ClN3O2 — CID 95227066

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1cc(Cl)no1)NC[C@@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C17H26ClN3O2/c18-16-10-15(23-20-16)7-8-17(22)19-11-13-4-3-9-21(12-13)14-5-1-2-6-14/h10,13-14H,1-9,11-12H2,(H,19,22)/t13-/m0/s1
InChIKeyWIFWLFHIXCTEFV-ZDUSSCGKSA-N
MW339.87 g/mol
LogP3.03
Rot. Bonds6

About 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide (PubChem CID 95227066) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide
PubChem CID95227066
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1cc(Cl)no1)NC[C@@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C17H26ClN3O2/c18-16-10-15(23-20-16)7-8-17(22)19-11-13-4-3-9-21(12-13)14-5-1-2-6-14/h10,13-14H,1-9,11-12H2,(H,19,22)/t13-/m0/s1
InChIKeyWIFWLFHIXCTEFV-ZDUSSCGKSA-N
XLogP3.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide with MolForge

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Related Compounds

5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-hydroxyphenyl)propanamide
CID 118774346
N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 95225748
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
3-(5-chlorothiophen-2-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propanamide
CID 60559749
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
3-(3-chloro-1,2-oxazol-5-yl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]propanamide;hydrochloride
CID 171713458
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 129370880
3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide
CID 45203025
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 124978226
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94024348

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide (CID 95227066) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide is O=C(CCc1cc(Cl)no1)NC[C@@H]1CCCN(C2CCCC2)C1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide?
The InChIKey is WIFWLFHIXCTEFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c18-16-10-15(23-20-16)7-8-17(22)19-11-13-4-3-9-21(12-13)14-5-1-2-6-14/h10,13-14H,1-9,11-12H2,(H,19,22)/t13-/m0/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide has a molecular weight of 339.87 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 95227066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).