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

C11H13N5O2 — CID 167862543

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2cc(C)no2)cn1
InChIInChI=1S/C11H13N5O2/c1-7-3-10(18-16-7)15-11(17)14-6-9-5-12-8(2)4-13-9/h3-5H,6H2,1-2H3,(H2,14,15,17)
InChIKeyWUELQLRPVSQUSC-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.40
Rot. Bonds3

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

1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea (PubChem CID 167862543) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
PubChem CID167862543
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2cc(C)no2)cn1
InChIInChI=1S/C11H13N5O2/c1-7-3-10(18-16-7)15-11(17)14-6-9-5-12-8(2)4-13-9/h3-5H,6H2,1-2H3,(H2,14,15,17)
InChIKeyWUELQLRPVSQUSC-UHFFFAOYSA-N
XLogP1.40
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
CID 154863683
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154857494
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 74231193
1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea
CID 166274717
1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62848325
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
(5-methylpyrazin-2-yl)methylurea
CID 62845946
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167772547
1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95975313
1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451594
(2S,3S)-3-methyl-2-[(5-methylpyrazin-2-yl)methylcarbamoylamino]pentanoic acid
CID 62840347

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea (CID 167862543) is 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea is Cc1cnc(CNC(=O)Nc2cc(C)no2)cn1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
The InChIKey is WUELQLRPVSQUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-3-10(18-16-7)15-11(17)14-6-9-5-12-8(2)4-13-9/h3-5H,6H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea has a molecular weight of 247.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 167862543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).