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

C14H23N3O3 — CID 111445129

IUPACN-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCC2(O)CCC2)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)13-16-12(20-17-13)6-3-5-11(18)15-9-14(19)7-4-8-14/h10,19H,3-9H2,1-2H3,(H,15,18)
InChIKeyFNTSKFKDZZXVDH-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.55
Rot. Bonds7

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

N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 111445129) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID111445129
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCC2(O)CCC2)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)13-16-12(20-17-13)6-3-5-11(18)15-9-14(19)7-4-8-14/h10,19H,3-9H2,1-2H3,(H,15,18)
InChIKeyFNTSKFKDZZXVDH-UHFFFAOYSA-N
XLogP1.55
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111428658
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 111444896
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 56786138
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635
N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47035759
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080867
N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 111445129) is N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)NCC2(O)CCC2)n1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is FNTSKFKDZZXVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)13-16-12(20-17-13)6-3-5-11(18)15-9-14(19)7-4-8-14/h10,19H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 281.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 111445129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).