(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C20H28N2O2 — CID 175482687

IUPAC(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C2=NC(C(C)C)CO2)c(C)c(C2=N[C@H](C(C)C)CO2)c1
InChIInChI=1S/C20H28N2O2/c1-11(2)17-9-23-19(21-17)15-7-13(5)8-16(14(15)6)20-22-18(10-24-20)12(3)4/h7-8,11-12,17-18H,9-10H2,1-6H3/t17-,18?/m0/s1
InChIKeyPQRCWGRMQWEVGD-ZENAZSQFSA-N
MW328.46 g/mol
LogP3.91
Rot. Bonds4

About (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 175482687) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID175482687
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C2=NC(C(C)C)CO2)c(C)c(C2=N[C@H](C(C)C)CO2)c1
InChIInChI=1S/C20H28N2O2/c1-11(2)17-9-23-19(21-17)15-7-13(5)8-16(14(15)6)20-22-18(10-24-20)12(3)4/h7-8,11-12,17-18H,9-10H2,1-6H3/t17-,18?/m0/s1
InChIKeyPQRCWGRMQWEVGD-ZENAZSQFSA-N
XLogP3.91
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 175482687) is (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1cc(C2=NC(C(C)C)CO2)c(C)c(C2=N[C@H](C(C)C)CO2)c1.
What is the InChIKey of (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is PQRCWGRMQWEVGD-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-11(2)17-9-23-19(21-17)15-7-13(5)8-16(14(15)6)20-22-18(10-24-20)12(3)4/h7-8,11-12,17-18H,9-10H2,1-6H3/t17-,18?/m0/s1.
What are the key properties of (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 328.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175482687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).