1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide

C22H21FN2O2 — CID 86963542

IUPAC1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1cnc(-c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)o1
InChIInChI=1S/C22H21FN2O2/c1-14(2)19-13-24-20(27-19)15-6-8-18(9-7-15)25-21(26)22(10-11-22)16-4-3-5-17(23)12-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)
InChIKeySUABCYOUMAOOMZ-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.27
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide

1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 86963542) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID86963542
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1cnc(-c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)o1
InChIInChI=1S/C22H21FN2O2/c1-14(2)19-13-24-20(27-19)15-6-8-18(9-7-15)25-21(26)22(10-11-22)16-4-3-5-17(23)12-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)
InChIKeySUABCYOUMAOOMZ-UHFFFAOYSA-N
XLogP5.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide (CID 86963542) is 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide is CC(C)c1cnc(-c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)o1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is SUABCYOUMAOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14(2)19-13-24-20(27-19)15-6-8-18(9-7-15)25-21(26)22(10-11-22)16-4-3-5-17(23)12-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,26).
What are the key properties of 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide?
1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86963542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).