N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide

C22H28N2O2 — CID 25110488

IUPACN,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2
InChIKeyZJDZCPFFIUGYOM-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.45
Rot. Bonds4

About N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide

N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 25110488) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID25110488
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2
InChIKeyZJDZCPFFIUGYOM-UHFFFAOYSA-N
XLogP5.45
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide (CID 25110488) is N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZJDZCPFFIUGYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2.
What are the key properties of N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide?
N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25110488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).