N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H18N6O2 — CID 102742554

IUPACN-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(NC(=O)c1noc(C2CCCN2)n1)c1ncc[nH]1
InChIInChI=1S/C13H18N6O2/c1-2-8(10-15-6-7-16-10)17-12(20)11-18-13(21-19-11)9-4-3-5-14-9/h6-9,14H,2-5H2,1H3,(H,15,16)(H,17,20)
InChIKeyNNKOBKIGNVSDPB-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.10
Rot. Bonds5

About N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742554) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742554
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(NC(=O)c1noc(C2CCCN2)n1)c1ncc[nH]1
InChIInChI=1S/C13H18N6O2/c1-2-8(10-15-6-7-16-10)17-12(20)11-18-13(21-19-11)9-4-3-5-14-9/h6-9,14H,2-5H2,1H3,(H,15,16)(H,17,20)
InChIKeyNNKOBKIGNVSDPB-UHFFFAOYSA-N
XLogP1.10
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 102742476
N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971367
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742442
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107824867
4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742264
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742320
(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742599

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742554) is N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CCC(NC(=O)c1noc(C2CCCN2)n1)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NNKOBKIGNVSDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-2-8(10-15-6-7-16-10)17-12(20)11-18-13(21-19-11)9-4-3-5-14-9/h6-9,14H,2-5H2,1H3,(H,15,16)(H,17,20).
What are the key properties of N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).