N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide

C22H18ClFN2O3 — CID 46138287

IUPACN-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1cccc(Cl)c1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C22H18ClFN2O3/c23-16-6-3-5-15(11-16)13-26(22(27)21-9-4-10-28-21)14-17-12-20(25-29-17)18-7-1-2-8-19(18)24/h1-11,17H,12-14H2
InChIKeyDLVZKRPJYFVFNF-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.91
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide

N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 46138287) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
PubChem CID46138287
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1cccc(Cl)c1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C22H18ClFN2O3/c23-16-6-3-5-15(11-16)13-26(22(27)21-9-4-10-28-21)14-17-12-20(25-29-17)18-7-1-2-8-19(18)24/h1-11,17H,12-14H2
InChIKeyDLVZKRPJYFVFNF-UHFFFAOYSA-N
XLogP4.91
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide (CID 46138287) is N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1cccc(Cl)c1)CC1CC(c2ccccc2F)=NO1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is DLVZKRPJYFVFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c23-16-6-3-5-15(11-16)13-26(22(27)21-9-4-10-28-21)14-17-12-20(25-29-17)18-7-1-2-8-19(18)24/h1-11,17H,12-14H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 412.85 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46138287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).