N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H21N3O3S — CID 86926787

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H21N3O3S/c23-18(8-7-17-20-19(21-25-17)14-9-11-26-13-14)22(15-4-1-2-5-15)12-16-6-3-10-24-16/h3,6,9-11,13,15H,1-2,4-5,7-8,12H2
InChIKeyNUGOWOKBHVVFHF-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.30
Rot. Bonds7

About N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 86926787) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID86926787
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H21N3O3S/c23-18(8-7-17-20-19(21-25-17)14-9-11-26-13-14)22(15-4-1-2-5-15)12-16-6-3-10-24-16/h3,6,9-11,13,15H,1-2,4-5,7-8,12H2
InChIKeyNUGOWOKBHVVFHF-UHFFFAOYSA-N
XLogP4.30
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 86926787) is N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NUGOWOKBHVVFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18(8-7-17-20-19(21-25-17)14-9-11-26-13-14)22(15-4-1-2-5-15)12-16-6-3-10-24-16/h3,6,9-11,13,15H,1-2,4-5,7-8,12H2.
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 86926787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).