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

C18H23N3O2 — CID 86931751

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESCc1noc(CCC(=O)NCC2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-14-20-17(23-21-14)10-9-16(22)19-13-18(11-5-6-12-18)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,19,22)
InChIKeyBVXNVSKFTGUDCB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.94
Rot. Bonds6

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

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide (PubChem CID 86931751) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
PubChem CID86931751
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESCc1noc(CCC(=O)NCC2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-14-20-17(23-21-14)10-9-16(22)19-13-18(11-5-6-12-18)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,19,22)
InChIKeyBVXNVSKFTGUDCB-UHFFFAOYSA-N
XLogP2.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 36803725
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115362208
N-[(1-phenylcyclobutyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18139474
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114751674
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclohexyl)methyl]butanamide
CID 46453834
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854882
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 24598429
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55745710
N-[(4-hydroxyoxan-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 79039524
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956882
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 134001912
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide (CID 86931751) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide is Cc1noc(CCC(=O)NCC2(c3ccccc3)CCCC2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The InChIKey is BVXNVSKFTGUDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-20-17(23-21-14)10-9-16(22)19-13-18(11-5-6-12-18)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,19,22).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 86931751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).