1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid

C24H18N2O7 — CID 71266146

About 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid

1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 71266146) has the molecular formula C24H18N2O7 and a molecular weight of 446.42 g/mol. Its IUPAC name is 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 71266146
• Molecular Formula: C24H18N2O7
• Molecular Weight: 446.42 g/mol
• Exact Mass: 446.11
• IUPAC Name: 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid
• SMILES: Cc1noc(C#Cc2cc3cc(C4(C(=O)O)CC4)oc3o2)c1NC(=O)OCc1ccccc1
• InChI: InChI=1S/C24H18N2O7/c1-14-20(25-23(29)30-13-15-5-3-2-4-6-15)18(33-26-14)8-7-17-11-16-12-19(32-21(16)31-17)24(9-10-24)22(27)28/h2-6,11-12H,9-10,13H2,1H3,(H,25,29)(H,27,28)
• InChIKey: WVIVUGNHQZGHMH-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 127.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.42
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid (CID 71266146) is 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid is Cc1noc(C#Cc2cc3cc(C4(C(=O)O)CC4)oc3o2)c1NC(=O)OCc1ccccc1.

What is the InChIKey of 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

The InChIKey is WVIVUGNHQZGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O7/c1-14-20(25-23(29)30-13-15-5-3-2-4-6-15)18(33-26-14)8-7-17-11-16-12-19(32-21(16)31-17)24(9-10-24)22(27)28/h2-6,11-12H,9-10,13H2,1H3,(H,25,29)(H,27,28).

What are the key properties of 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 446.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 71266146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).