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

C15H25N3O3 — CID 65123880

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC1CCC(O)(CNC(=O)CCc2nc(C)no2)CC1
InChIInChI=1S/C15H25N3O3/c1-3-12-6-8-15(20,9-7-12)10-16-13(19)4-5-14-17-11(2)18-21-14/h12,20H,3-10H2,1-2H3,(H,16,19)
InChIKeyGXFDONJAIWVMMT-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.76
Rot. Bonds6

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

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 65123880) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID65123880
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC1CCC(O)(CNC(=O)CCc2nc(C)no2)CC1
InChIInChI=1S/C15H25N3O3/c1-3-12-6-8-15(20,9-7-12)10-16-13(19)4-5-14-17-11(2)18-21-14/h12,20H,3-10H2,1-2H3,(H,16,19)
InChIKeyGXFDONJAIWVMMT-UHFFFAOYSA-N
XLogP1.76
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 79039524
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 56786138
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114751674
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115362208
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956882
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111115226
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
1-[(1-hydroxycyclohexyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 110936721
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 65123880) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is CCC1CCC(O)(CNC(=O)CCc2nc(C)no2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GXFDONJAIWVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-12-6-8-15(20,9-7-12)10-16-13(19)4-5-14-17-11(2)18-21-14/h12,20H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 65123880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).