1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide

C26H20N2O5 — CID 90504781

IUPAC1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1
InChIInChI=1S/C26H20N2O5/c29-25(27-19-8-4-5-9-20(19)32-18-6-2-1-3-7-18)26(12-13-26)24-15-22(33-28-24)17-10-11-21-23(14-17)31-16-30-21/h1-11,14-15H,12-13,16H2,(H,27,29)
InChIKeyULKHGQJGJQXHPK-UHFFFAOYSA-N
MW440.46 g/mol
LogP5.53
Rot. Bonds6

About 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 90504781) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
PubChem CID90504781
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1
InChIInChI=1S/C26H20N2O5/c29-25(27-19-8-4-5-9-20(19)32-18-6-2-1-3-7-18)26(12-13-26)24-15-22(33-28-24)17-10-11-21-23(14-17)31-16-30-21/h1-11,14-15H,12-13,16H2,(H,27,29)
InChIKeyULKHGQJGJQXHPK-UHFFFAOYSA-N
XLogP5.53
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 90504714
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90504763
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90504673
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504663
N-(2-ethoxyphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503191
N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504429
1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea
CID 17298589
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 90504204
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90504804
N-(2-methylsulfanylphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503194
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 90504706
N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503198

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide (CID 90504781) is 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1.
What is the InChIKey of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is ULKHGQJGJQXHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-25(27-19-8-4-5-9-20(19)32-18-6-2-1-3-7-18)26(12-13-26)24-15-22(33-28-24)17-10-11-21-23(14-17)31-16-30-21/h1-11,14-15H,12-13,16H2,(H,27,29).
What are the key properties of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).