N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

C16H19N5O2 — CID 25338478

IUPACN-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C16H19N5O2/c1-21-9-12(18-15(22)10-4-5-10)7-13(21)16-19-14(20-23-16)11-3-2-6-17-8-11/h2-3,6,8,10,12-13H,4-5,7,9H2,1H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyBSSPHPRNSFTSDC-STQMWFEESA-N
MW313.36 g/mol
LogP1.40
Rot. Bonds4

About N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 25338478) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID25338478
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C16H19N5O2/c1-21-9-12(18-15(22)10-4-5-10)7-13(21)16-19-14(20-23-16)11-3-2-6-17-8-11/h2-3,6,8,10,12-13H,4-5,7,9H2,1H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyBSSPHPRNSFTSDC-STQMWFEESA-N
XLogP1.40
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 25338468
1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 25338500
4-fluoro-N-[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
CID 25338745
1-ethyl-3-[1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 74443067
4-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-4-oxobutanoic acid
CID 25338759
4-[[1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-4-oxobutanoic acid
CID 74443061
4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
CID 25338790
2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 28960803
1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 28960641
1-[1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]-3-propan-2-ylurea
CID 74442714
N-[1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 74442693
N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-4-phenylbenzamide
CID 28960954

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 25338478) is N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is CN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cccnc2)no1.
What is the InChIKey of N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is BSSPHPRNSFTSDC-STQMWFEESA-N. The full InChI is InChI=1S/C16H19N5O2/c1-21-9-12(18-15(22)10-4-5-10)7-13(21)16-19-14(20-23-16)11-3-2-6-17-8-11/h2-3,6,8,10,12-13H,4-5,7,9H2,1H3,(H,18,22)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 25338478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).