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

C22H22ClFN2O2 — CID 46137799

IUPACN-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccccc1Cl)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C22H22ClFN2O2/c23-20-7-2-1-4-17(20)13-26(22(27)16-5-3-6-16)14-19-12-21(25-28-19)15-8-10-18(24)11-9-15/h1-2,4,7-11,16,19H,3,5-6,12-14H2
InChIKeyWMRPXUHJJGKZTO-UHFFFAOYSA-N
MW400.88 g/mol
LogP4.80
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide (PubChem CID 46137799) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
PubChem CID46137799
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccccc1Cl)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C22H22ClFN2O2/c23-20-7-2-1-4-17(20)13-26(22(27)16-5-3-6-16)14-19-12-21(25-28-19)15-8-10-18(24)11-9-15/h1-2,4,7-11,16,19H,3,5-6,12-14H2
InChIKeyWMRPXUHJJGKZTO-UHFFFAOYSA-N
XLogP4.80
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide (CID 46137799) is N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccccc1Cl)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The InChIKey is WMRPXUHJJGKZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O2/c23-20-7-2-1-4-17(20)13-26(22(27)16-5-3-6-16)14-19-12-21(25-28-19)15-8-10-18(24)11-9-15/h1-2,4,7-11,16,19H,3,5-6,12-14H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide has a molecular weight of 400.88 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 46137799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).