(4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one

C18H27NO3 — CID 59909777

IUPAC(4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one
SMILESCC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(C)=O)co1
InChIInChI=1S/C18H27NO3/c1-13(20)11-16(18-19-17(12-22-18)14(2)21)10-6-9-15-7-4-3-5-8-15/h12,15-16H,3-11H2,1-2H3/t16-/m1/s1
InChIKeyHHFTVWBDLTVUMW-MRXNPFEDSA-N
MW305.42 g/mol
LogP4.69
Rot. Bonds8

About (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one

(4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one (PubChem CID 59909777) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one
PubChem CID59909777
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one
SMILESCC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(C)=O)co1
InChIInChI=1S/C18H27NO3/c1-13(20)11-16(18-19-17(12-22-18)14(2)21)10-6-9-15-7-4-3-5-8-15/h12,15-16H,3-11H2,1-2H3/t16-/m1/s1
InChIKeyHHFTVWBDLTVUMW-MRXNPFEDSA-N
XLogP4.69
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one?
The IUPAC name of (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one (CID 59909777) is (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one.
What is the SMILES notation for (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one?
The canonical SMILES for (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one is CC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(C)=O)co1.
What is the InChIKey of (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one?
The InChIKey is HHFTVWBDLTVUMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(20)11-16(18-19-17(12-22-18)14(2)21)10-6-9-15-7-4-3-5-8-15/h12,15-16H,3-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one?
(4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one has a molecular weight of 305.42 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-acetyl-1,3-oxazol-2-yl)-7-cyclohexylheptan-2-one is sourced from PubChem (CID 59909777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).