5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

C19H14FN3O3 — CID 172879037

IUPAC5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)no1)C1C2Oc3ccc(F)cc3C21
InChIInChI=1S/C19H14FN3O3/c20-10-4-5-15-12(7-10)16-17(18(16)25-15)19(24)22-9-11-8-14(23-26-11)13-3-1-2-6-21-13/h1-8,16-18H,9H2,(H,22,24)
InChIKeyKVFOQPWLBWOBNW-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.67
Rot. Bonds4

About 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (PubChem CID 172879037) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
PubChem CID172879037
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)no1)C1C2Oc3ccc(F)cc3C21
InChIInChI=1S/C19H14FN3O3/c20-10-4-5-15-12(7-10)16-17(18(16)25-15)19(24)22-9-11-8-14(23-26-11)13-3-1-2-6-21-13/h1-8,16-18H,9H2,(H,22,24)
InChIKeyKVFOQPWLBWOBNW-UHFFFAOYSA-N
XLogP2.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (CID 172879037) is 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is O=C(NCc1cc(-c2ccccn2)no1)C1C2Oc3ccc(F)cc3C21.
What is the InChIKey of 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The InChIKey is KVFOQPWLBWOBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-10-4-5-15-12(7-10)16-17(18(16)25-15)19(24)22-9-11-8-14(23-26-11)13-3-1-2-6-21-13/h1-8,16-18H,9H2,(H,22,24).
What are the key properties of 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is sourced from PubChem (CID 172879037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).