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

C22H18ClFN2O3 — CID 46137718

IUPACN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1cccc(F)c1)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C22H18ClFN2O3/c23-17-8-6-16(7-9-17)20-12-19(29-25-20)14-26(22(27)21-5-2-10-28-21)13-15-3-1-4-18(24)11-15/h1-11,19H,12-14H2
InChIKeyKKODJOVPMJMOMW-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.91
Rot. Bonds6

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

N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 46137718) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID46137718
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1cccc(F)c1)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C22H18ClFN2O3/c23-17-8-6-16(7-9-17)20-12-19(29-25-20)14-26(22(27)21-5-2-10-28-21)13-15-3-1-4-18(24)11-15/h1-11,19H,12-14H2
InChIKeyKKODJOVPMJMOMW-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-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide (CID 46137718) is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1cccc(F)c1)CC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is KKODJOVPMJMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c23-17-8-6-16(7-9-17)20-12-19(29-25-20)14-26(22(27)21-5-2-10-28-21)13-15-3-1-4-18(24)11-15/h1-11,19H,12-14H2.
What are the key properties of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)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-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46137718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).