4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide

C13H15ClN4O3 — CID 126434875

IUPAC4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1noc([C@@H]2CCCO2)n1)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H15ClN4O3/c14-8-6-9(16-7-8)12(19)15-4-3-11-17-13(21-18-11)10-2-1-5-20-10/h6-7,10,16H,1-5H2,(H,15,19)/t10-/m0/s1
InChIKeyLVMIYCBSPHXJJS-JTQLQIEISA-N
MW310.74 g/mol
LogP1.88
Rot. Bonds5

About 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 126434875) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID126434875
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1noc([C@@H]2CCCO2)n1)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H15ClN4O3/c14-8-6-9(16-7-8)12(19)15-4-3-11-17-13(21-18-11)10-2-1-5-20-10/h6-7,10,16H,1-5H2,(H,15,19)/t10-/m0/s1
InChIKeyLVMIYCBSPHXJJS-JTQLQIEISA-N
XLogP1.88
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-imidazole-5-carboxamide
CID 90648078
3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 70772071
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936713
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936714
2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 99928923
4-morpholin-4-yl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 124853323
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97286117
6-cyano-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 90652722
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 99973390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 126434875) is 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCc1noc([C@@H]2CCCO2)n1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LVMIYCBSPHXJJS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15ClN4O3/c14-8-6-9(16-7-8)12(19)15-4-3-11-17-13(21-18-11)10-2-1-5-20-10/h6-7,10,16H,1-5H2,(H,15,19)/t10-/m0/s1.
What are the key properties of 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126434875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).