2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole

C20H28N2O — CID 170920594

IUPAC2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2cccc(C(C3CCCC3)C3CCCC3)n2)=N1
InChIInChI=1S/C20H28N2O/c1-14-13-23-20(21-14)18-12-6-11-17(22-18)19(15-7-2-3-8-15)16-9-4-5-10-16/h6,11-12,14-16,19H,2-5,7-10,13H2,1H3
InChIKeyQWSSHVIWEDKUPU-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.71
Rot. Bonds4

About 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole

2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 170920594) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID170920594
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2cccc(C(C3CCCC3)C3CCCC3)n2)=N1
InChIInChI=1S/C20H28N2O/c1-14-13-23-20(21-14)18-12-6-11-17(22-18)19(15-7-2-3-8-15)16-9-4-5-10-16/h6,11-12,14-16,19H,2-5,7-10,13H2,1H3
InChIKeyQWSSHVIWEDKUPU-UHFFFAOYSA-N
XLogP4.71
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-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
(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 164890554
(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
2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 142590984
(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
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)-4-ethyl-2-[6-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 66556676
(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102128598
(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
2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 22006286

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 170920594) is 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole is CC1COC(c2cccc(C(C3CCCC3)C3CCCC3)n2)=N1.
What is the InChIKey of 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is QWSSHVIWEDKUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-14-13-23-20(21-14)18-12-6-11-17(22-18)19(15-7-2-3-8-15)16-9-4-5-10-16/h6,11-12,14-16,19H,2-5,7-10,13H2,1H3.
What are the key properties of 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole?
2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 312.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 170920594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).