N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C14H17N5O2 — CID 102742442

IUPACN-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESC[C@H](NC(=O)c1noc(C2CCCN2)n1)c1ccncc1
InChIInChI=1S/C14H17N5O2/c1-9(10-4-7-15-8-5-10)17-13(20)12-18-14(21-19-12)11-3-2-6-16-11/h4-5,7-9,11,16H,2-3,6H2,1H3,(H,17,20)/t9-,11?/m0/s1
InChIKeyPVWWBPHSBDDXRK-FTNKSUMCSA-N
MW287.32 g/mol
LogP1.38
Rot. Bonds4

About N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742442) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742442
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESC[C@H](NC(=O)c1noc(C2CCCN2)n1)c1ccncc1
InChIInChI=1S/C14H17N5O2/c1-9(10-4-7-15-8-5-10)17-13(20)12-18-14(21-19-12)11-3-2-6-16-11/h4-5,7-9,11,16H,2-3,6H2,1H3,(H,17,20)/t9-,11?/m0/s1
InChIKeyPVWWBPHSBDDXRK-FTNKSUMCSA-N
XLogP1.38
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
5-pyrrolidin-2-yl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 102742250
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
5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 104970929
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742599
3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 102742476
N-(2-methyl-4-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971294
N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742554
N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971105

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742442) is N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is C[C@H](NC(=O)c1noc(C2CCCN2)n1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PVWWBPHSBDDXRK-FTNKSUMCSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(10-4-7-15-8-5-10)17-13(20)12-18-14(21-19-12)11-3-2-6-16-11/h4-5,7-9,11,16H,2-3,6H2,1H3,(H,17,20)/t9-,11?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).