1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C12H16N4O2S — CID 71868469

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cc(CNC(=O)NCCc2ncc(C)s2)no1
InChIInChI=1S/C12H16N4O2S/c1-8-5-10(16-18-8)7-15-12(17)13-4-3-11-14-6-9(2)19-11/h5-6H,3-4,7H2,1-2H3,(H2,13,15,17)
InChIKeyVJUZPFDXCSNAQK-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.79
Rot. Bonds5

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71868469) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71868469
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cc(CNC(=O)NCCc2ncc(C)s2)no1
InChIInChI=1S/C12H16N4O2S/c1-8-5-10(16-18-8)7-15-12(17)13-4-3-11-14-6-9(2)19-11/h5-6H,3-4,7H2,1-2H3,(H2,13,15,17)
InChIKeyVJUZPFDXCSNAQK-UHFFFAOYSA-N
XLogP1.79
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71868469) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cc(CNC(=O)NCCc2ncc(C)s2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is VJUZPFDXCSNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-5-10(16-18-8)7-15-12(17)13-4-3-11-14-6-9(2)19-11/h5-6H,3-4,7H2,1-2H3,(H2,13,15,17).
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 280.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71868469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).