2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole

C19H29N3O3 — CID 101234031

IUPAC2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC([C@@H]2[C@@H](C3=NC(C)(C)CO3)C2(C)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C19H29N3O3/c1-16(2)8-23-13(20-16)11-12(14-21-17(3,4)9-24-14)19(11,7)15-22-18(5,6)10-25-15/h11-12H,8-10H2,1-7H3/t11-,12-/m0/s1
InChIKeyYLCCTPDVRVNKGD-RYUDHWBXSA-N
MW347.46 g/mol
LogP2.86
Rot. Bonds3

About 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101234031) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID101234031
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC([C@@H]2[C@@H](C3=NC(C)(C)CO3)C2(C)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C19H29N3O3/c1-16(2)8-23-13(20-16)11-12(14-21-17(3,4)9-24-14)19(11,7)15-22-18(5,6)10-25-15/h11-12H,8-10H2,1-7H3/t11-,12-/m0/s1
InChIKeyYLCCTPDVRVNKGD-RYUDHWBXSA-N
XLogP2.86
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11099673
2-[(1R,2R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 10991642
2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11100855
2-[(1S,3S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)cyclopropyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 11143906
2-[(1S,2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234029
2-[(1R,3R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)cyclopropyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 101234030
2-[(1S,3S)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234032
(4R)-2-[(1S,3R)-2,2-dimethyl-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102490073

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (CID 101234031) is 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC([C@@H]2[C@@H](C3=NC(C)(C)CO3)C2(C)C2=NC(C)(C)CO2)=N1.
What is the InChIKey of 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is YLCCTPDVRVNKGD-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-16(2)8-23-13(20-16)11-12(14-21-17(3,4)9-24-14)19(11,7)15-22-18(5,6)10-25-15/h11-12H,8-10H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 347.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101234031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).