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

C23H37N3O3 — CID 11143906

IUPAC2-[(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
SMILESCC1CC(C)(C)N=C([C@H]2[C@H](C3=NC(C)(C)CC(C)O3)C2(C)C2=NC(C)(C)CO2)O1
InChIInChI=1S/C23H37N3O3/c1-13-10-20(3,4)24-17(28-13)15-16(18-25-21(5,6)11-14(2)29-18)23(15,9)19-26-22(7,8)12-27-19/h13-16H,10-12H2,1-9H3/t13?,14?,15-,16-,23?/m1/s1
InChIKeyYSBYXZABPXBPPM-BPHDENKXSA-N
MW403.57 g/mol
LogP4.42
Rot. Bonds3

About 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

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 (PubChem CID 11143906) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID11143906
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name2-[(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
SMILESCC1CC(C)(C)N=C([C@H]2[C@H](C3=NC(C)(C)CC(C)O3)C2(C)C2=NC(C)(C)CO2)O1
InChIInChI=1S/C23H37N3O3/c1-13-10-20(3,4)24-17(28-13)15-16(18-25-21(5,6)11-14(2)29-18)23(15,9)19-26-22(7,8)12-27-19/h13-16H,10-12H2,1-9H3/t13?,14?,15-,16-,23?/m1/s1
InChIKeyYSBYXZABPXBPPM-BPHDENKXSA-N
XLogP4.42
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(C)(C)N=C([C@H]2[C@H](C3=NC(C)(C)CC(C)O3)C2(C)C2=NC(C)(C)CO2)O1.
What is the InChIKey of 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?
The InChIKey is YSBYXZABPXBPPM-BPHDENKXSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-13-10-20(3,4)24-17(28-13)15-16(18-25-21(5,6)11-14(2)29-18)23(15,9)19-26-22(7,8)12-27-19/h13-16H,10-12H2,1-9H3/t13?,14?,15-,16-,23?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 403.57 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11143906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).