bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine

C34H55N5O2S — CID 158086552

IUPACbis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine
SMILESCc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C)c(C(C)C)n1
InChIInChI=1S/C10H16N2.2C8H13NO.C8H13NS/c1-6(2)10-7(3)8(4)11-9(5)12-10;2*1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-9-6(3)7(4)10-8/h6H,1-5H3;3*5H,1-4H3
InChIKeyFNOWNBNRDRLHPR-UHFFFAOYSA-N
MW597.91 g/mol
LogP10.24
Rot. Bonds4

About bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine

bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine (PubChem CID 158086552) has the molecular formula C34H55N5O2S and a molecular weight of 597.91 g/mol. Its IUPAC name is bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Namebis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine
PubChem CID158086552
Molecular FormulaC34H55N5O2S
Molecular Weight597.91 g/mol
Exact Mass597.41
IUPAC Namebis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine
SMILESCc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C)c(C(C)C)n1
InChIInChI=1S/C10H16N2.2C8H13NO.C8H13NS/c1-6(2)10-7(3)8(4)11-9(5)12-10;2*1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-9-6(3)7(4)10-8/h6H,1-5H3;3*5H,1-4H3
InChIKeyFNOWNBNRDRLHPR-UHFFFAOYSA-N
XLogP10.24
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.91
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
The IUPAC name of bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine (CID 158086552) is bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
The canonical SMILES for bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine is Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C)c(C(C)C)n1.
What is the InChIKey of bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
The InChIKey is FNOWNBNRDRLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2C8H13NO.C8H13NS/c1-6(2)10-7(3)8(4)11-9(5)12-10;2*1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-9-6(3)7(4)10-8/h6H,1-5H3;3*5H,1-4H3.
What are the key properties of bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine has a molecular weight of 597.91 g/mol, XLogP of 10.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethyl-4-propan-2-yl-1,3-oxazole);4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4,5-trimethyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 158086552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).