N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C16H20N4O3 — CID 70753753

IUPACN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H20N4O3/c1-22-13-10-17-9-12(13)18-14(21)7-8-15-19-16(20-23-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyJDAGQPHCKQUYAH-STQMWFEESA-N
MW316.36 g/mol
LogP0.77
Rot. Bonds6

About N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 70753753) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID70753753
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H20N4O3/c1-22-13-10-17-9-12(13)18-14(21)7-8-15-19-16(20-23-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyJDAGQPHCKQUYAH-STQMWFEESA-N
XLogP0.77
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 70753753) is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CO[C@H]1CNC[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JDAGQPHCKQUYAH-STQMWFEESA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-13-10-17-9-12(13)18-14(21)7-8-15-19-16(20-23-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,18,21)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 316.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 70753753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).