N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide

C22H34N2O2 — CID 56955980

IUPACN,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(C2CCCCC2)on1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H34N2O2/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/h16-19H,1-15H2
InChIKeyKULQLZKQQHKTID-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.83
Rot. Bonds4

About N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide

N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide (PubChem CID 56955980) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide
PubChem CID56955980
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(C2CCCCC2)on1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H34N2O2/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/h16-19H,1-15H2
InChIKeyKULQLZKQQHKTID-UHFFFAOYSA-N
XLogP5.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide (CID 56955980) is N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide is O=C(c1cc(C2CCCCC2)on1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide?
The InChIKey is KULQLZKQQHKTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/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/h16-19H,1-15H2.
What are the key properties of N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide?
N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56955980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).