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

C21H23N3O2S — CID 38139231

IUPACN-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23N3O2S/c25-18(8-9-19-23-24-20(26-19)16-10-13-27-14-16)22-15-21(11-4-5-12-21)17-6-2-1-3-7-17/h1-3,6-7,10,13-14H,4-5,8-9,11-12,15H2,(H,22,25)
InChIKeyUWTBGDYMUJGHSF-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.36
Rot. Bonds7

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

N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38139231) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38139231
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23N3O2S/c25-18(8-9-19-23-24-20(26-19)16-10-13-27-14-16)22-15-21(11-4-5-12-21)17-6-2-1-3-7-17/h1-3,6-7,10,13-14H,4-5,8-9,11-12,15H2,(H,22,25)
InChIKeyUWTBGDYMUJGHSF-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38020884
N-[(5-bromothiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 32822433
2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
CID 119213403
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42567188
2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071712
N-[(1-phenylcyclobutyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18139474
N-(3-pyridin-3-ylpropyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42521898
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 24598429

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38139231) is N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is UWTBGDYMUJGHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-18(8-9-19-23-24-20(26-19)16-10-13-27-14-16)22-15-21(11-4-5-12-21)17-6-2-1-3-7-17/h1-3,6-7,10,13-14H,4-5,8-9,11-12,15H2,(H,22,25).
What are the key properties of N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 381.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38139231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).