1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

C13H18N4O2S — CID 84599979

IUPAC1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NCc2ncoc2C)s1
InChIInChI=1S/C13H18N4O2S/c1-8(12-14-5-9(2)20-12)4-15-13(18)16-6-11-10(3)19-7-17-11/h5,7-8H,4,6H2,1-3H3,(H2,15,16,18)
InChIKeyVKQLSTMGYWEXQX-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.35
Rot. Bonds5

About 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 84599979) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID84599979
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NCc2ncoc2C)s1
InChIInChI=1S/C13H18N4O2S/c1-8(12-14-5-9(2)20-12)4-15-13(18)16-6-11-10(3)19-7-17-11/h5,7-8H,4,6H2,1-3H3,(H2,15,16,18)
InChIKeyVKQLSTMGYWEXQX-UHFFFAOYSA-N
XLogP2.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 84593941
1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521331
1-[(4-cyano-2-fluorophenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 167947964
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130978196
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305979
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
CID 122009883
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 126790370
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97158340
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 86790045
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea
CID 97334233

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (CID 84599979) is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1cnc(C(C)CNC(=O)NCc2ncoc2C)s1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is VKQLSTMGYWEXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8(12-14-5-9(2)20-12)4-15-13(18)16-6-11-10(3)19-7-17-11/h5,7-8H,4,6H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 294.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 84599979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).