N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C22H18FN3O3 — CID 55862938

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C22H18FN3O3/c23-17-9-4-10-18(12-17)28-22-16(8-5-11-24-22)14-25-21(27)19-13-20(29-26-19)15-6-2-1-3-7-15/h1-12,20H,13-14H2,(H,25,27)
InChIKeyXHRWFZGPTZKJFJ-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.15
Rot. Bonds6

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 55862938) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID55862938
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C22H18FN3O3/c23-17-9-4-10-18(12-17)28-22-16(8-5-11-24-22)14-25-21(27)19-13-20(29-26-19)15-6-2-1-3-7-15/h1-12,20H,13-14H2,(H,25,27)
InChIKeyXHRWFZGPTZKJFJ-UHFFFAOYSA-N
XLogP4.15
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55777426
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
(2S,5R)-5-(aminomethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798007
3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 55965841
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
2-(2-chloro-4-fluorophenyl)-N-[(2-phenoxy-3-pyridinyl)methyl]acetamide
CID 56755065

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 55862938) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCc1cccnc1Oc1cccc(F)c1)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is XHRWFZGPTZKJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c23-17-9-4-10-18(12-17)28-22-16(8-5-11-24-22)14-25-21(27)19-13-20(29-26-19)15-6-2-1-3-7-15/h1-12,20H,13-14H2,(H,25,27).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55862938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).