[3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate

C23H24ClN3O4 — CID 175262724

IUPAC[3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate
SMILESCC(C)Oc1ccc(-c2nc(-c3ccc(CNC4CC(OC=O)C4)cc3Cl)no2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-14(2)30-18-6-4-16(5-7-18)23-26-22(27-31-23)20-8-3-15(9-21(20)24)12-25-17-10-19(11-17)29-13-28/h3-9,13-14,17,19,25H,10-12H2,1-2H3
InChIKeyZFJDJISAMVLMPN-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.64
Rot. Bonds9

About [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate

[3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate (PubChem CID 175262724) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate.

Molecular Properties

Compound Name[3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate
PubChem CID175262724
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name[3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate
SMILESCC(C)Oc1ccc(-c2nc(-c3ccc(CNC4CC(OC=O)C4)cc3Cl)no2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-14(2)30-18-6-4-16(5-7-18)23-26-22(27-31-23)20-8-3-15(9-21(20)24)12-25-17-10-19(11-17)29-13-28/h3-9,13-14,17,19,25H,10-12H2,1-2H3
InChIKeyZFJDJISAMVLMPN-UHFFFAOYSA-N
XLogP4.64
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[3-[[4-[3-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methylamino]cyclobutyl] formate
CID 87529920
1-[4-[3-[4-[[(3-formyloxycyclobutyl)amino]methyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanesulfinate
CID 174570282
[3-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]anilino]cyclobutyl] formate
CID 174585216
3-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 172853603
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
[3-chloro-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl 2-aminoacetate;hydrochloride
CID 175171985
3-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutane-1-carboxylic acid
CID 139266790
3-amino-4-[[3-chloro-4-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]-4-oxobutanoic acid
CID 175168920
3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-7-yl]propanal
CID 88568078
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
5-[4-(azetidin-1-ylmethyl)phenyl]-3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 141206756

Frequently Asked Questions

What is the IUPAC name of [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate?
The IUPAC name of [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate (CID 175262724) is [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate.
What is the SMILES notation for [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate?
The canonical SMILES for [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate is CC(C)Oc1ccc(-c2nc(-c3ccc(CNC4CC(OC=O)C4)cc3Cl)no2)cc1.
What is the InChIKey of [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate?
The InChIKey is ZFJDJISAMVLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-14(2)30-18-6-4-16(5-7-18)23-26-22(27-31-23)20-8-3-15(9-21(20)24)12-25-17-10-19(11-17)29-13-28/h3-9,13-14,17,19,25H,10-12H2,1-2H3.
What are the key properties of [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate?
[3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate has a molecular weight of 441.92 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-chloro-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutyl] formate is sourced from PubChem (CID 175262724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).