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

C17H21N3O4 — CID 70718554

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O4/c1-2-23-14-11-22-10-13(14)18-15(21)8-9-16-19-17(20-24-16)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyFHHCGRUCEHUBCB-KBPBESRZSA-N
MW331.37 g/mol
LogP1.59
Rot. Bonds7

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

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 70718554) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID70718554
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O4/c1-2-23-14-11-22-10-13(14)18-15(21)8-9-16-19-17(20-24-16)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyFHHCGRUCEHUBCB-KBPBESRZSA-N
XLogP1.59
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 70718554) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CCO[C@H]1COC[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is FHHCGRUCEHUBCB-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-23-14-11-22-10-13(14)18-15(21)8-9-16-19-17(20-24-16)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,18,21)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 70718554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).