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

C14H20N4O2S — CID 71981692

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCc1cnc(CN(C)C(=O)NCc2c(C)noc2C)s1
InChIInChI=1S/C14H20N4O2S/c1-5-11-6-15-13(21-11)8-18(4)14(19)16-7-12-9(2)17-20-10(12)3/h6H,5,7-8H2,1-4H3,(H,16,19)
InChIKeyZNQPWFQTJDOLRE-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.65
Rot. Bonds5

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 71981692) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
PubChem CID71981692
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCc1cnc(CN(C)C(=O)NCc2c(C)noc2C)s1
InChIInChI=1S/C14H20N4O2S/c1-5-11-6-15-13(21-11)8-18(4)14(19)16-7-12-9(2)17-20-10(12)3/h6H,5,7-8H2,1-4H3,(H,16,19)
InChIKeyZNQPWFQTJDOLRE-UHFFFAOYSA-N
XLogP2.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71865035
4-[[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020351
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 47862151
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea
CID 71981476
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 47863150
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)-1-methylurea
CID 111619012
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 71865083
3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398770
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 71981692) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is CCc1cnc(CN(C)C(=O)NCc2c(C)noc2C)s1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The InChIKey is ZNQPWFQTJDOLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-11-6-15-13(21-11)8-18(4)14(19)16-7-12-9(2)17-20-10(12)3/h6H,5,7-8H2,1-4H3,(H,16,19).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 308.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 71981692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).