(4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole

C18H31NO — CID 162148943

IUPAC(4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCC(C)[C@H]1N=COC1(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31NO/c1-14(2)17-18(20-13-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13-17H,3-12H2,1-2H3/t17-/m1/s1
InChIKeyPEOQVYKJQSIZFZ-QGZVFWFLSA-N
MW277.45 g/mol
LogP4.97
Rot. Bonds3

About (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole

(4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole (PubChem CID 162148943) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole
PubChem CID162148943
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCC(C)[C@H]1N=COC1(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31NO/c1-14(2)17-18(20-13-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13-17H,3-12H2,1-2H3/t17-/m1/s1
InChIKeyPEOQVYKJQSIZFZ-QGZVFWFLSA-N
XLogP4.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole?
The IUPAC name of (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole (CID 162148943) is (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole.
What is the SMILES notation for (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole?
The canonical SMILES for (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole is CC(C)[C@H]1N=COC1(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole?
The InChIKey is PEOQVYKJQSIZFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)17-18(20-13-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13-17H,3-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole?
(4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole has a molecular weight of 277.45 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dicyclohexyl-4-propan-2-yl-4H-1,3-oxazole is sourced from PubChem (CID 162148943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).