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

C19H17N3O4 — CID 90502897

IUPACN-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)c1
InChIInChI=1S/C19H17N3O4/c1-12(23)20-13-4-2-5-14(10-13)21-18(24)19(7-8-19)17-11-16(26-22-17)15-6-3-9-25-15/h2-6,9-11H,7-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyAWOWQQYDJCFLNC-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.56
Rot. Bonds5

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

N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90502897) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90502897
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)c1
InChIInChI=1S/C19H17N3O4/c1-12(23)20-13-4-2-5-14(10-13)21-18(24)19(7-8-19)17-11-16(26-22-17)15-6-3-9-25-15/h2-6,9-11H,7-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyAWOWQQYDJCFLNC-UHFFFAOYSA-N
XLogP3.56
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90502897) is N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is AWOWQQYDJCFLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(23)20-13-4-2-5-14(10-13)21-18(24)19(7-8-19)17-11-16(26-22-17)15-6-3-9-25-15/h2-6,9-11H,7-8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90502897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).