N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

C19H16FN3O3 — CID 45209039

IUPACN-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cc(-c3cccnc3)cc(F)c2O1
InChIInChI=1S/C19H16FN3O3/c1-11-17(25-10-23-11)19(24)22-9-15-6-14-5-13(7-16(20)18(14)26-15)12-3-2-4-21-8-12/h2-5,7-8,10,15H,6,9H2,1H3,(H,22,24)
InChIKeyHSNLGYCJBAJQMS-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.92
Rot. Bonds4

About N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45209039) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45209039
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cc(-c3cccnc3)cc(F)c2O1
InChIInChI=1S/C19H16FN3O3/c1-11-17(25-10-23-11)19(24)22-9-15-6-14-5-13(7-16(20)18(14)26-15)12-3-2-4-21-8-12/h2-5,7-8,10,15H,6,9H2,1H3,(H,22,24)
InChIKeyHSNLGYCJBAJQMS-UHFFFAOYSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 45209039) is N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1Cc2cc(-c3cccnc3)cc(F)c2O1.
What is the InChIKey of N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is HSNLGYCJBAJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11-17(25-10-23-11)19(24)22-9-15-6-14-5-13(7-16(20)18(14)26-15)12-3-2-4-21-8-12/h2-5,7-8,10,15H,6,9H2,1H3,(H,22,24).
What are the key properties of N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45209039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).