2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole

C16H19N3O — CID 51137228

IUPAC2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-13(5-3-1)15-17-18-16(20-15)14-8-9-19(11-14)10-12-6-7-12/h1-5,12,14H,6-11H2/t14-/m0/s1
InChIKeyIPGGOZYPBNTEOW-AWEZNQCLSA-N
MW269.35 g/mol
LogP2.94
Rot. Bonds4

About 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole

2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 51137228) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID51137228
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-13(5-3-1)15-17-18-16(20-15)14-8-9-19(11-14)10-12-6-7-12/h1-5,12,14H,6-11H2/t14-/m0/s1
InChIKeyIPGGOZYPBNTEOW-AWEZNQCLSA-N
XLogP2.94
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137198
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
CID 75615908
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-methoxy-1-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 51137734
3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
CID 90064881
1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol
CID 4206507

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 51137228) is 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)cc1.
What is the InChIKey of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is IPGGOZYPBNTEOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-13(5-3-1)15-17-18-16(20-15)14-8-9-19(11-14)10-12-6-7-12/h1-5,12,14H,6-11H2/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 269.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 51137228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).