butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate

C25H26N2O5 — CID 90503799

IUPACbutyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C2(c3cc(-c4cccc(OC)c4)on3)CC2)cc1
InChIInChI=1S/C25H26N2O5/c1-3-4-14-31-23(28)17-8-10-19(11-9-17)26-24(29)25(12-13-25)22-16-21(32-27-22)18-6-5-7-20(15-18)30-2/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,26,29)
InChIKeyGTZQUTMOEHXJAC-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.98
Rot. Bonds9

About butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate

butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 90503799) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate
PubChem CID90503799
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Namebutyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C2(c3cc(-c4cccc(OC)c4)on3)CC2)cc1
InChIInChI=1S/C25H26N2O5/c1-3-4-14-31-23(28)17-8-10-19(11-9-17)26-24(29)25(12-13-25)22-16-21(32-27-22)18-6-5-7-20(15-18)30-2/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,26,29)
InChIKeyGTZQUTMOEHXJAC-UHFFFAOYSA-N
XLogP4.98
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 90503788
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90503650
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 90503716
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 90503710
N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503720
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide
CID 90503921
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 90503926
N-cyclohexyl-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503730
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90503904
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90503923
ethyl 2-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 90503918
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate (CID 90503799) is butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)C2(c3cc(-c4cccc(OC)c4)on3)CC2)cc1.
What is the InChIKey of butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is GTZQUTMOEHXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-3-4-14-31-23(28)17-8-10-19(11-9-17)26-24(29)25(12-13-25)22-16-21(32-27-22)18-6-5-7-20(15-18)30-2/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,26,29).
What are the key properties of butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate?
butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 434.49 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 90503799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).