1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea

C13H18N4O2S — CID 71991739

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea
SMILESCCc1csc(NC(=O)N(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C13H18N4O2S/c1-5-10-7-20-12(14-10)15-13(18)17(4)6-11-8(2)16-19-9(11)3/h7H,5-6H2,1-4H3,(H,14,15,18)
InChIKeyODHRCEOOPDOPTA-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.97
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea (PubChem CID 71991739) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea
PubChem CID71991739
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea
SMILESCCc1csc(NC(=O)N(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C13H18N4O2S/c1-5-10-7-20-12(14-10)15-13(18)17(4)6-11-8(2)16-19-9(11)3/h7H,5-6H2,1-4H3,(H,14,15,18)
InChIKeyODHRCEOOPDOPTA-UHFFFAOYSA-N
XLogP2.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea (CID 71991739) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea is CCc1csc(NC(=O)N(C)Cc2c(C)noc2C)n1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea?
The InChIKey is ODHRCEOOPDOPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-5-10-7-20-12(14-10)15-13(18)17(4)6-11-8(2)16-19-9(11)3/h7H,5-6H2,1-4H3,(H,14,15,18).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea has a molecular weight of 294.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea is sourced from PubChem (CID 71991739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).