3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide

C20H15FN2O4 — CID 137367601

IUPAC3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2oc(=O)n(Cc3ccccc3F)c2c1
InChIInChI=1S/C20H15FN2O4/c21-16-6-2-1-4-14(16)12-23-17-10-13(7-8-18(17)27-20(23)25)19(24)22-11-15-5-3-9-26-15/h1-10H,11-12H2,(H,22,24)
InChIKeyKEDYOPPWYZMNGU-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.30
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide

3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 137367601) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID137367601
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2oc(=O)n(Cc3ccccc3F)c2c1
InChIInChI=1S/C20H15FN2O4/c21-16-6-2-1-4-14(16)12-23-17-10-13(7-8-18(17)27-20(23)25)19(24)22-11-15-5-3-9-26-15/h1-10H,11-12H2,(H,22,24)
InChIKeyKEDYOPPWYZMNGU-UHFFFAOYSA-N
XLogP3.30
TPSA77.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 22429669
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579297
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46149671
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231307
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 20891285
N-(furan-2-ylmethyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 35353534

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide (CID 137367601) is 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2oc(=O)n(Cc3ccccc3F)c2c1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is KEDYOPPWYZMNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-16-6-2-1-4-14(16)12-23-17-10-13(7-8-18(17)27-20(23)25)19(24)22-11-15-5-3-9-26-15/h1-10H,11-12H2,(H,22,24).
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 137367601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).