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

C19H29N3O3 — CID 101234029

IUPAC2-[(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
SMILESCC(C)[C@H]1COC(C2[C@H](C3=NC(C)(C)CO3)[C@H]2C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C19H29N3O3/c1-10(2)11-7-23-15(20-11)12-13(16-21-18(3,4)8-24-16)14(12)17-22-19(5,6)9-25-17/h10-14H,7-9H2,1-6H3/t11-,13+,14+/m1/s1
InChIKeyKDCGBYIAGOOLEM-XBFCOCLRSA-N
MW347.46 g/mol
LogP2.72
Rot. Bonds4

About 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

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 (PubChem CID 101234029) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID101234029
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[(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
SMILESCC(C)[C@H]1COC(C2[C@H](C3=NC(C)(C)CO3)[C@H]2C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C19H29N3O3/c1-10(2)11-7-23-15(20-11)12-13(16-21-18(3,4)8-24-16)14(12)17-22-19(5,6)9-25-17/h10-14H,7-9H2,1-6H3/t11-,13+,14+/m1/s1
InChIKeyKDCGBYIAGOOLEM-XBFCOCLRSA-N
XLogP2.72
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

Tris(oxazolinyl)-cyclopropane
CID 91557750
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,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234031
2-[1,3-Bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57244596
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
(4R)-2-[2,3-bis[(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 11014262
(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11143291
(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
CID 15896844
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)-4-propan-2-yl-2-[3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4,5-dihydro-1,3-oxazole
CID 102166511
(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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[C@H]1COC(C2[C@H](C3=NC(C)(C)CO3)[C@H]2C2=NC(C)(C)CO2)=N1.
What is the InChIKey of 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?
The InChIKey is KDCGBYIAGOOLEM-XBFCOCLRSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-10(2)11-7-23-15(20-11)12-13(16-21-18(3,4)8-24-16)14(12)17-22-19(5,6)9-25-17/h10-14H,7-9H2,1-6H3/t11-,13+,14+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 347.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101234029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).