N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C19H17N5O2S — CID 55728303

IUPACN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H17N5O2S/c25-17(5-6-18-23-24-19(26-18)15-8-10-27-12-15)20-11-13-1-3-14(4-2-13)16-7-9-21-22-16/h1-4,7-10,12H,5-6,11H2,(H,20,25)(H,21,22)
InChIKeyKPRMWGYIJXXKDM-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.44
Rot. Bonds7

About N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55728303) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55728303
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H17N5O2S/c25-17(5-6-18-23-24-19(26-18)15-8-10-27-12-15)20-11-13-1-3-14(4-2-13)16-7-9-21-22-16/h1-4,7-10,12H,5-6,11H2,(H,20,25)(H,21,22)
InChIKeyKPRMWGYIJXXKDM-UHFFFAOYSA-N
XLogP3.44
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55728303) is N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is KPRMWGYIJXXKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-17(5-6-18-23-24-19(26-18)15-8-10-27-12-15)20-11-13-1-3-14(4-2-13)16-7-9-21-22-16/h1-4,7-10,12H,5-6,11H2,(H,20,25)(H,21,22).
What are the key properties of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 379.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55728303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).