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

C23H18FN3O3 — CID 45203500

IUPACN-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1
InChIInChI=1S/C23H18FN3O3/c1-13-21(29-12-27-13)23(28)26-11-18-8-16-7-15(9-19(24)22(16)30-18)17-6-14-4-2-3-5-20(14)25-10-17/h2-7,9-10,12,18H,8,11H2,1H3,(H,26,28)
InChIKeySIIURXXRUMAERZ-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.07
Rot. Bonds4

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

N-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45203500) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45203500
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1
InChIInChI=1S/C23H18FN3O3/c1-13-21(29-12-27-13)23(28)26-11-18-8-16-7-15(9-19(24)22(16)30-18)17-6-14-4-2-3-5-20(14)25-10-17/h2-7,9-10,12,18H,8,11H2,1H3,(H,26,28)
InChIKeySIIURXXRUMAERZ-UHFFFAOYSA-N
XLogP4.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.07
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-quinolin-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-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 45203500) is N-[(7-fluoro-5-quinolin-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-quinolin-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-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1.
What is the InChIKey of N-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is SIIURXXRUMAERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-13-21(29-12-27-13)23(28)26-11-18-8-16-7-15(9-19(24)22(16)30-18)17-6-14-4-2-3-5-20(14)25-10-17/h2-7,9-10,12,18H,8,11H2,1H3,(H,26,28).
What are the key properties of N-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 4.07, 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-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45203500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).