N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide

C17H20N4O2 — CID 120863866

IUPACN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESNC1(c2noc(Cc3ccc(NC(=O)C4CC4)cc3)n2)CCC1
InChIInChI=1S/C17H20N4O2/c18-17(8-1-9-17)16-20-14(23-21-16)10-11-2-6-13(7-3-11)19-15(22)12-4-5-12/h2-3,6-7,12H,1,4-5,8-10,18H2,(H,19,22)
InChIKeyROJLVELGYGOHPL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.35
Rot. Bonds5

About N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 120863866) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide
PubChem CID120863866
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESNC1(c2noc(Cc3ccc(NC(=O)C4CC4)cc3)n2)CCC1
InChIInChI=1S/C17H20N4O2/c18-17(8-1-9-17)16-20-14(23-21-16)10-11-2-6-13(7-3-11)19-15(22)12-4-5-12/h2-3,6-7,12H,1,4-5,8-10,18H2,(H,19,22)
InChIKeyROJLVELGYGOHPL-UHFFFAOYSA-N
XLogP2.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 120850489
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860856
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-[5-[[4-(difluoromethylsulfonyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859147
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864155
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120860237
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride
CID 120853244
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 120855084
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858568

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide (CID 120863866) is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide is NC1(c2noc(Cc3ccc(NC(=O)C4CC4)cc3)n2)CCC1.
What is the InChIKey of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ROJLVELGYGOHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-17(8-1-9-17)16-20-14(23-21-16)10-11-2-6-13(7-3-11)19-15(22)12-4-5-12/h2-3,6-7,12H,1,4-5,8-10,18H2,(H,19,22).
What are the key properties of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 120863866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).