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

C18H22ClN3O2 — CID 120577468

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H22ClN3O2/c1-12-15(7-4-10-20-12)22-17(23)8-9-18-21-11-16(24-18)13-5-2-3-6-14(13)19/h2-3,5-6,11-12,15,20H,4,7-10H2,1H3,(H,22,23)
InChIKeyFWHSCGMMGKNAMI-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.18
Rot. Bonds5

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120577468) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120577468
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H22ClN3O2/c1-12-15(7-4-10-20-12)22-17(23)8-9-18-21-11-16(24-18)13-5-2-3-6-14(13)19/h2-3,5-6,11-12,15,20H,4,7-10H2,1H3,(H,22,23)
InChIKeyFWHSCGMMGKNAMI-UHFFFAOYSA-N
XLogP3.18
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.18
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-(6-oxopiperidin-3-yl)propanamide
CID 60616967
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
CID 120576879
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide
CID 51308137
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
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-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 43067351
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 134020373
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide (CID 120577468) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide is CC1NCCCC1NC(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is FWHSCGMMGKNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-15(7-4-10-20-12)22-17(23)8-9-18-21-11-16(24-18)13-5-2-3-6-14(13)19/h2-3,5-6,11-12,15,20H,4,7-10H2,1H3,(H,22,23).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 347.85 g/mol, XLogP of 3.18, 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-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120577468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).