1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea

C15H15N5O2 — CID 69055830

IUPAC1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea
SMILESCC1=NC=CN(NC(=O)Nc2ccccc2-c2cnco2)C1
InChIInChI=1S/C15H15N5O2/c1-11-9-20(7-6-17-11)19-15(21)18-13-5-3-2-4-12(13)14-8-16-10-22-14/h2-8,10H,9H2,1H3,(H2,18,19,21)
InChIKeyMLTJWQANLTWDER-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.63
Rot. Bonds3

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

1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 69055830) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID69055830
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea
SMILESCC1=NC=CN(NC(=O)Nc2ccccc2-c2cnco2)C1
InChIInChI=1S/C15H15N5O2/c1-11-9-20(7-6-17-11)19-15(21)18-13-5-3-2-4-12(13)14-8-16-10-22-14/h2-8,10H,9H2,1H3,(H2,18,19,21)
InChIKeyMLTJWQANLTWDER-UHFFFAOYSA-N
XLogP2.63
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea (CID 69055830) is 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea is CC1=NC=CN(NC(=O)Nc2ccccc2-c2cnco2)C1.
What is the InChIKey of 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is MLTJWQANLTWDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-11-9-20(7-6-17-11)19-15(21)18-13-5-3-2-4-12(13)14-8-16-10-22-14/h2-8,10H,9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea?
1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 297.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 69055830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).