N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C15H25N3O3 — CID 47035759

IUPACN-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NC(C)C2CCCO2)n1
InChIInChI=1S/C15H25N3O3/c1-10(2)15-17-14(21-18-15)8-4-7-13(19)16-11(3)12-6-5-9-20-12/h10-12H,4-9H2,1-3H3,(H,16,19)
InChIKeyZYPIDOXVQDHLBX-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.20
Rot. Bonds7

About N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 47035759) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID47035759
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NC(C)C2CCCO2)n1
InChIInChI=1S/C15H25N3O3/c1-10(2)15-17-14(21-18-15)8-4-7-13(19)16-11(3)12-6-5-9-20-12/h10-12H,4-9H2,1-3H3,(H,16,19)
InChIKeyZYPIDOXVQDHLBX-UHFFFAOYSA-N
XLogP2.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95260702
1-[1-(oxolan-2-yl)ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785680
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251228
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251222
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 94025800
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713294
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-[(1-hydroxycycloheptyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111428658
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 47035759) is N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)NC(C)C2CCCO2)n1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is ZYPIDOXVQDHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)15-17-14(21-18-15)8-4-7-13(19)16-11(3)12-6-5-9-20-12/h10-12H,4-9H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 295.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 47035759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).