3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea

C16H14ClN5O2 — CID 154754970

IUPAC3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCN(Cc1cnccn1)C(=O)Nc1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H14ClN5O2/c1-22(10-13-9-18-5-6-19-13)16(23)20-15-8-14(24-21-15)11-3-2-4-12(17)7-11/h2-9H,10H2,1H3,(H,20,21,23)
InChIKeyXGPJNOYJVKJOCI-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.45
Rot. Bonds4

About 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea

3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea (PubChem CID 154754970) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
PubChem CID154754970
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCN(Cc1cnccn1)C(=O)Nc1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H14ClN5O2/c1-22(10-13-9-18-5-6-19-13)16(23)20-15-8-14(24-21-15)11-3-2-4-12(17)7-11/h2-9H,10H2,1H3,(H,20,21,23)
InChIKeyXGPJNOYJVKJOCI-UHFFFAOYSA-N
XLogP3.45
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
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3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea (CID 154754970) is 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea is CN(Cc1cnccn1)C(=O)Nc1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The InChIKey is XGPJNOYJVKJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-22(10-13-9-18-5-6-19-13)16(23)20-15-8-14(24-21-15)11-3-2-4-12(17)7-11/h2-9H,10H2,1H3,(H,20,21,23).
What are the key properties of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea has a molecular weight of 343.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 154754970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).