N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H22N4O2S — CID 94024348

IUPACN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C17H22N4O2S/c22-15(18-9-12-5-7-21(10-12)14-1-2-14)3-4-16-19-17(20-23-16)13-6-8-24-11-13/h6,8,11-12,14H,1-5,7,9-10H2,(H,18,22)/t12-/m1/s1
InChIKeyJHDDMRANHGYAFA-GFCCVEGCSA-N
MW346.46 g/mol
LogP2.33
Rot. Bonds7

About N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 94024348) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID94024348
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C17H22N4O2S/c22-15(18-9-12-5-7-21(10-12)14-1-2-14)3-4-16-19-17(20-23-16)13-6-8-24-11-13/h6,8,11-12,14H,1-5,7,9-10H2,(H,18,22)/t12-/m1/s1
InChIKeyJHDDMRANHGYAFA-GFCCVEGCSA-N
XLogP2.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 94024348) is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1CCN(C2CC2)C1.
What is the InChIKey of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JHDDMRANHGYAFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-15(18-9-12-5-7-21(10-12)14-1-2-14)3-4-16-19-17(20-23-16)13-6-8-24-11-13/h6,8,11-12,14H,1-5,7,9-10H2,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 346.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 94024348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).