(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C24H36N2O — CID 164890554

IUPAC(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC(c2cccc(C(C3CCCCC3)C3CCCCC3)n2)=N1
InChIInChI=1S/C24H36N2O/c1-17(2)22-16-27-24(26-22)21-15-9-14-20(25-21)23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h9,14-15,17-19,22-23H,3-8,10-13,16H2,1-2H3/t22-/m0/s1
InChIKeyHYANLKGYMSECKK-QFIPXVFZSA-N
MW368.57 g/mol
LogP6.13
Rot. Bonds5

About (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 164890554) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID164890554
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC(c2cccc(C(C3CCCCC3)C3CCCCC3)n2)=N1
InChIInChI=1S/C24H36N2O/c1-17(2)22-16-27-24(26-22)21-15-9-14-20(25-21)23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h9,14-15,17-19,22-23H,3-8,10-13,16H2,1-2H3/t22-/m0/s1
InChIKeyHYANLKGYMSECKK-QFIPXVFZSA-N
XLogP6.13
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 164890547
2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 170920594
(4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 164890574
(4S)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 164890573
neodymium(3+);(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;trichloride
CID 173243081
(4S)-2-[6-[4-(1-iodoethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 163574251
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
CID 71317490
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
(4S)-2-(6-benzhydryl-2-pyridinyl)-4-cyclohexyl-4,5-dihydro-1,3-oxazole
CID 164890561
(4R)-4-cyclohexyl-2-[6-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 154728097

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 164890554) is (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@@H]1COC(c2cccc(C(C3CCCCC3)C3CCCCC3)n2)=N1.
What is the InChIKey of (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is HYANLKGYMSECKK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H36N2O/c1-17(2)22-16-27-24(26-22)21-15-9-14-20(25-21)23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h9,14-15,17-19,22-23H,3-8,10-13,16H2,1-2H3/t22-/m0/s1.
What are the key properties of (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 368.57 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164890554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).