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

C14H11N3O4 — CID 90502967

IUPAC1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccon1)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C14H11N3O4/c18-13(15-12-3-7-20-17-12)14(4-5-14)11-8-10(21-16-11)9-2-1-6-19-9/h1-3,6-8H,4-5H2,(H,15,17,18)
InChIKeySHJQRUNEIIVKJJ-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.59
Rot. Bonds4

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

1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502967) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502967
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccon1)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C14H11N3O4/c18-13(15-12-3-7-20-17-12)14(4-5-14)11-8-10(21-16-11)9-2-1-6-19-9/h1-3,6-8H,4-5H2,(H,15,17,18)
InChIKeySHJQRUNEIIVKJJ-UHFFFAOYSA-N
XLogP2.59
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502967) is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccon1)C1(c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is SHJQRUNEIIVKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13(15-12-3-7-20-17-12)14(4-5-14)11-8-10(21-16-11)9-2-1-6-19-9/h1-3,6-8H,4-5H2,(H,15,17,18).
What are the key properties of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 2.59, 4 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-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).