1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid

C26H18N4O7 — CID 71266858

IUPAC1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCC(OC(=O)Nc1c(C#Cc2nc3nc(C4(C(=O)O)CC4)oc3o2)oc2ncccc12)c1ccccc1
InChIInChI=1S/C26H18N4O7/c1-14(15-6-3-2-4-7-15)34-25(33)29-19-16-8-5-13-27-21(16)35-17(19)9-10-18-28-20-22(36-18)37-23(30-20)26(11-12-26)24(31)32/h2-8,13-14H,11-12H2,1H3,(H,29,33)(H,31,32)
InChIKeyFDKVZYFXCPMSFZ-UHFFFAOYSA-N
MW498.45 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid

1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 71266858) has the molecular formula C26H18N4O7 and a molecular weight of 498.45 g/mol. Its IUPAC name is 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID71266858
Molecular FormulaC26H18N4O7
Molecular Weight498.45 g/mol
Exact Mass498.12
IUPAC Name1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCC(OC(=O)Nc1c(C#Cc2nc3nc(C4(C(=O)O)CC4)oc3o2)oc2ncccc12)c1ccccc1
InChIInChI=1S/C26H18N4O7/c1-14(15-6-3-2-4-7-15)34-25(33)29-19-16-8-5-13-27-21(16)35-17(19)9-10-18-28-20-22(36-18)37-23(30-20)26(11-12-26)24(31)32/h2-8,13-14H,11-12H2,1H3,(H,29,33)(H,31,32)
InChIKeyFDKVZYFXCPMSFZ-UHFFFAOYSA-N
XLogP4.78
TPSA153.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid (CID 71266858) is 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid is CC(OC(=O)Nc1c(C#Cc2nc3nc(C4(C(=O)O)CC4)oc3o2)oc2ncccc12)c1ccccc1.
What is the InChIKey of 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is FDKVZYFXCPMSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O7/c1-14(15-6-3-2-4-7-15)34-25(33)29-19-16-8-5-13-27-21(16)35-17(19)9-10-18-28-20-22(36-18)37-23(30-20)26(11-12-26)24(31)32/h2-8,13-14H,11-12H2,1H3,(H,29,33)(H,31,32).
What are the key properties of 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid?
1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 498.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(1-phenylethoxycarbonylamino)furo[2,3-b]pyridin-2-yl]ethynyl]-[1,3]oxazolo[4,5-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 71266858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).