N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C12H18N4O3 — CID 129001579

IUPACN-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCN2CCO)n1
InChIInChI=1S/C12H18N4O3/c17-7-6-16-5-1-2-9(16)12-14-10(15-19-12)11(18)13-8-3-4-8/h8-9,17H,1-7H2,(H,13,18)
InChIKeyLTUCDGSZJPQCKB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.09
Rot. Bonds5

About N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129001579) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129001579
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCN2CCO)n1
InChIInChI=1S/C12H18N4O3/c17-7-6-16-5-1-2-9(16)12-14-10(15-19-12)11(18)13-8-3-4-8/h8-9,17H,1-7H2,(H,13,18)
InChIKeyLTUCDGSZJPQCKB-UHFFFAOYSA-N
XLogP0.09
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129003726
N-cyclopropyl-5-[(2S)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338909
N-cyclopropyl-5-[(2S)-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330909
N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344366
N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129339660
N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129007591
N-cyclopropyl-5-[(2R)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341797
N-cyclopropyl-5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336365
N-cyclopropyl-5-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344538
N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344537
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129334901
N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341144

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129001579) is N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc(C2CCCN2CCO)n1.
What is the InChIKey of N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LTUCDGSZJPQCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-7-6-16-5-1-2-9(16)12-14-10(15-19-12)11(18)13-8-3-4-8/h8-9,17H,1-7H2,(H,13,18).
What are the key properties of N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129001579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).