N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide

C21H24FN3O3 — CID 46023543

IUPACN-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C1CC1
InChIInChI=1S/C21H24FN3O3/c22-16-5-3-14(4-6-16)19-18(21(28-23-19)24-9-11-27-12-10-24)13-25(17-7-8-17)20(26)15-1-2-15/h3-6,15,17H,1-2,7-13H2
InChIKeyMULRIXIHGVIEBH-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.22
Rot. Bonds6

About N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide

N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 46023543) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID46023543
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C1CC1
InChIInChI=1S/C21H24FN3O3/c22-16-5-3-14(4-6-16)19-18(21(28-23-19)24-9-11-27-12-10-24)13-25(17-7-8-17)20(26)15-1-2-15/h3-6,15,17H,1-2,7-13H2
InChIKeyMULRIXIHGVIEBH-UHFFFAOYSA-N
XLogP3.22
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide (CID 46023543) is N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide is O=C(C1CC1)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MULRIXIHGVIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-16-5-3-14(4-6-16)19-18(21(28-23-19)24-9-11-27-12-10-24)13-25(17-7-8-17)20(26)15-1-2-15/h3-6,15,17H,1-2,7-13H2.
What are the key properties of N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide?
N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 46023543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).