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

C13H21N3O3 — CID 115362208

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H21N3O3/c1-10-15-12(19-16-10)5-4-11(18)14-8-13(9-17)6-2-3-7-13/h17H,2-9H2,1H3,(H,14,18)
InChIKeyIJNYSJBTVOLJFE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.98
Rot. Bonds6

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

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 115362208) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID115362208
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H21N3O3/c1-10-15-12(19-16-10)5-4-11(18)14-8-13(9-17)6-2-3-7-13/h17H,2-9H2,1H3,(H,14,18)
InChIKeyIJNYSJBTVOLJFE-UHFFFAOYSA-N
XLogP0.98
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114751674
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
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
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 65123880
2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 104844432
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 66002123
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 56786138
1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 115362208) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)NCC2(CO)CCCC2)n1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is IJNYSJBTVOLJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-15-12(19-16-10)5-4-11(18)14-8-13(9-17)6-2-3-7-13/h17H,2-9H2,1H3,(H,14,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 267.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 115362208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).