4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one

C14H18N2O4 — CID 19078062

IUPAC4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(C2CCC(C3=NC(C)C(=O)O3)CC2)OC1=O
InChIInChI=1S/C14H18N2O4/c1-7-13(17)19-11(15-7)9-3-5-10(6-4-9)12-16-8(2)14(18)20-12/h7-10H,3-6H2,1-2H3
InChIKeyYPKDLGHYUOEDHG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.48
Rot. Bonds2

About 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one

4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one (PubChem CID 19078062) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one
PubChem CID19078062
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(C2CCC(C3=NC(C)C(=O)O3)CC2)OC1=O
InChIInChI=1S/C14H18N2O4/c1-7-13(17)19-11(15-7)9-3-5-10(6-4-9)12-16-8(2)14(18)20-12/h7-10H,3-6H2,1-2H3
InChIKeyYPKDLGHYUOEDHG-UHFFFAOYSA-N
XLogP1.48
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one (CID 19078062) is 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one is CC1N=C(C2CCC(C3=NC(C)C(=O)O3)CC2)OC1=O.
What is the InChIKey of 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one?
The InChIKey is YPKDLGHYUOEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-7-13(17)19-11(15-7)9-3-5-10(6-4-9)12-16-8(2)14(18)20-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one?
4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one has a molecular weight of 278.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)cyclohexyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19078062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).