3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole

C38H56N8O8 — CID 159145060

IUPAC3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole
SMILESCC1=NOC(C)C1.CC1=NOCC1.CCc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccno1.Cc1ccon1.Cc1cnoc1C
InChIInChI=1S/C6H9NO.C5H7NO.C5H9NO.2C5H7NO.C4H7NO.2C4H5NO/c1-3-6-4-5(2)8-7-6;1-4-3-6-7-5(4)2;3*1-4-3-5(2)7-6-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4/h4H,3H2,1-2H3;3H,1-2H3;5H,3H2,1-2H3;2*3H,1-2H3;2-3H2,1H3;2*2-3H,1H3
InChIKeyKIOPEQKDSQLINH-UHFFFAOYSA-N
MW752.91 g/mol
LogP9.34
Rot. Bonds1

About 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole

3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole (PubChem CID 159145060) has the molecular formula C38H56N8O8 and a molecular weight of 752.91 g/mol. Its IUPAC name is 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole
PubChem CID159145060
Molecular FormulaC38H56N8O8
Molecular Weight752.91 g/mol
Exact Mass752.42
IUPAC Name3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole
SMILESCC1=NOC(C)C1.CC1=NOCC1.CCc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccno1.Cc1ccon1.Cc1cnoc1C
InChIInChI=1S/C6H9NO.C5H7NO.C5H9NO.2C5H7NO.C4H7NO.2C4H5NO/c1-3-6-4-5(2)8-7-6;1-4-3-6-7-5(4)2;3*1-4-3-5(2)7-6-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4/h4H,3H2,1-2H3;3H,1-2H3;5H,3H2,1-2H3;2*3H,1-2H3;2-3H2,1H3;2*2-3H,1H3
InChIKeyKIOPEQKDSQLINH-UHFFFAOYSA-N
XLogP9.34
TPSA199.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.91
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole (CID 159145060) is 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole is CC1=NOC(C)C1.CC1=NOCC1.CCc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccno1.Cc1ccon1.Cc1cnoc1C.
What is the InChIKey of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole?
The InChIKey is KIOPEQKDSQLINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H7NO.C5H9NO.2C5H7NO.C4H7NO.2C4H5NO/c1-3-6-4-5(2)8-7-6;1-4-3-6-7-5(4)2;3*1-4-3-5(2)7-6-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4/h4H,3H2,1-2H3;3H,1-2H3;5H,3H2,1-2H3;2*3H,1-2H3;2-3H2,1H3;2*2-3H,1H3.
What are the key properties of 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole?
3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole has a molecular weight of 752.91 g/mol, XLogP of 9.34, 1 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4,5-dihydro-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3-ethyl-5-methyl-1,2-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole is sourced from PubChem (CID 159145060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).