3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide

C10H13ClN2O2S — CID 45203025

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide
SMILESO=C(CCc1cc(Cl)no1)NC1CCSC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-5-8(15-13-9)1-2-10(14)12-7-3-4-16-6-7/h5,7H,1-4,6H2,(H,12,14)
InChIKeyNDUXERGZLUUWDR-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.88
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide (PubChem CID 45203025) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide
PubChem CID45203025
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide
SMILESO=C(CCc1cc(Cl)no1)NC1CCSC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-5-8(15-13-9)1-2-10(14)12-7-3-4-16-6-7/h5,7H,1-4,6H2,(H,12,14)
InChIKeyNDUXERGZLUUWDR-UHFFFAOYSA-N
XLogP1.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-1-[3-(3-chloroisoxazol-5-yl)propanoyl]-N,N-diethyl-L-prolinamide
CID 56710747
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R)-thiolan-3-yl]propanamide
CID 29218345
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S)-thiolan-3-yl]propanamide
CID 29218349
(4R)-4-amino-1-[3-(3-chloroisoxazol-5-yl)propanoyl]-N,N-diethyl-L-prolinamide
CID 56711448
3-(3-chloroisoxazol-5-yl)-N-[(1-cyclopentylpiperidin-3-yl)methyl]propanamide
CID 56720876
3-(3-chloro-5-isoxazolyl)-N-[(1S*,2R*)-2-(cyclohexylamino)cyclobutyl]propanamide
CID 56888336
1-[3-(3-Chloro-5-isoxazolyl)propanoyl]-2-(1-pyrrolidinylcarbonyl)piperazine
CID 56895141
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(cyclohexylamino)cyclobutyl]propanamide
CID 76424359
3-(3-chloroisoxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 90648652
N-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-L-methionine
CID 91639298
(S)-3-(3-chloroisoxazol-5-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide
CID 91640619
3-(3-chloro-1,2-oxazol-5-yl)-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]propanamide
CID 91821155

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide (CID 45203025) is 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide is O=C(CCc1cc(Cl)no1)NC1CCSC1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide?
The InChIKey is NDUXERGZLUUWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-5-8(15-13-9)1-2-10(14)12-7-3-4-16-6-7/h5,7H,1-4,6H2,(H,12,14).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide has a molecular weight of 260.75 g/mol, XLogP of 1.88, 4 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-(thiolan-3-yl)propanamide is sourced from PubChem (CID 45203025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).