N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide

C23H22FN3O3 — CID 68601090

IUPACN-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1
InChIInChI=1S/C23H22FN3O3/c24-20-4-2-1-3-19(20)15-5-9-17(10-6-15)25-22(28)16-7-11-18(12-8-16)26-23(29)21-13-14-30-27-21/h1-6,9-10,13-14,16,18H,7-8,11-12H2,(H,25,28)(H,26,29)
InChIKeyPWWFFXGAOVSLKQ-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide

N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 68601090) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID68601090
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1
InChIInChI=1S/C23H22FN3O3/c24-20-4-2-1-3-19(20)15-5-9-17(10-6-15)25-22(28)16-7-11-18(12-8-16)26-23(29)21-13-14-30-27-21/h1-6,9-10,13-14,16,18H,7-8,11-12H2,(H,25,28)(H,26,29)
InChIKeyPWWFFXGAOVSLKQ-UHFFFAOYSA-N
XLogP4.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide (CID 68601090) is N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCC(C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1.
What is the InChIKey of N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PWWFFXGAOVSLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-20-4-2-1-3-19(20)15-5-9-17(10-6-15)25-22(28)16-7-11-18(12-8-16)26-23(29)21-13-14-30-27-21/h1-6,9-10,13-14,16,18H,7-8,11-12H2,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 68601090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).