N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H21FN2O2 — CID 60522379

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2cccc(F)c2)=NO1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C22H21FN2O2/c23-16-6-3-5-15(12-16)19-13-21(27-24-19)22(26)25(17-9-10-17)20-11-8-14-4-1-2-7-18(14)20/h1-7,12,17,20-21H,8-11,13H2
InChIKeyLKZJHOQIMIHRLH-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.00
Rot. Bonds4

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 60522379) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID60522379
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2cccc(F)c2)=NO1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C22H21FN2O2/c23-16-6-3-5-15(12-16)19-13-21(27-24-19)22(26)25(17-9-10-17)20-11-8-14-4-1-2-7-18(14)20/h1-7,12,17,20-21H,8-11,13H2
InChIKeyLKZJHOQIMIHRLH-UHFFFAOYSA-N
XLogP4.00
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 60522379) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(C1CC(c2cccc(F)c2)=NO1)N(C1CC1)C1CCc2ccccc21.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LKZJHOQIMIHRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-16-6-3-5-15(12-16)19-13-21(27-24-19)22(26)25(17-9-10-17)20-11-8-14-4-1-2-7-18(14)20/h1-7,12,17,20-21H,8-11,13H2.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60522379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).