3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

C14H16N4OS — CID 56877195

IUPAC3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2nc(C(C)C)cs2)on1
InChIInChI=1S/C14H16N4OS/c1-9(2)12-8-20-14(16-12)13-15-4-5-18(13)7-11-6-10(3)17-19-11/h4-6,8-9H,7H2,1-3H3
InChIKeyPFCXJKZZBYASII-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.47
Rot. Bonds4

About 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 56877195) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID56877195
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2nc(C(C)C)cs2)on1
InChIInChI=1S/C14H16N4OS/c1-9(2)12-8-20-14(16-12)13-15-4-5-18(13)7-11-6-10(3)17-19-11/h4-6,8-9H,7H2,1-3H3
InChIKeyPFCXJKZZBYASII-UHFFFAOYSA-N
XLogP3.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 56877195) is 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ccnc2-c2nc(C(C)C)cs2)on1.
What is the InChIKey of 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is PFCXJKZZBYASII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9(2)12-8-20-14(16-12)13-15-4-5-18(13)7-11-6-10(3)17-19-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 288.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(4-propan-2-yl-1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56877195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).