1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide

C21H21N3O4 — CID 90503022

IUPAC1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H21N3O4/c25-20(22-15-3-5-16(6-4-15)24-9-12-26-13-10-24)21(7-8-21)19-14-18(28-23-19)17-2-1-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,22,25)
InChIKeySHGNJIZUKYADCP-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.44
Rot. Bonds5

About 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide

1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 90503022) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
PubChem CID90503022
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H21N3O4/c25-20(22-15-3-5-16(6-4-15)24-9-12-26-13-10-24)21(7-8-21)19-14-18(28-23-19)17-2-1-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,22,25)
InChIKeySHGNJIZUKYADCP-UHFFFAOYSA-N
XLogP3.44
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502897
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502967
5-(furan-2-yl)-N-(3-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 110618704
N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502927
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 46559443
N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502771
methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate
CID 90503043
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-octylcyclopropane-1-carboxamide
CID 90502974
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
CID 42157664
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 90502766

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide (CID 90503022) is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SHGNJIZUKYADCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-20(22-15-3-5-16(6-4-15)24-9-12-26-13-10-24)21(7-8-21)19-14-18(28-23-19)17-2-1-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,22,25).
What are the key properties of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide?
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).