1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

C16H16N4O3S — CID 166193918

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCc1noc(C)c1NC(=O)Nc1cccc(OCc2cscn2)c1
InChIInChI=1S/C16H16N4O3S/c1-10-15(11(2)23-20-10)19-16(21)18-12-4-3-5-14(6-12)22-7-13-8-24-9-17-13/h3-6,8-9H,7H2,1-2H3,(H2,18,19,21)
InChIKeyOLEKEXKBGUTVDN-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.97
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (PubChem CID 166193918) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
PubChem CID166193918
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCc1noc(C)c1NC(=O)Nc1cccc(OCc2cscn2)c1
InChIInChI=1S/C16H16N4O3S/c1-10-15(11(2)23-20-10)19-16(21)18-12-4-3-5-14(6-12)22-7-13-8-24-9-17-13/h3-6,8-9H,7H2,1-2H3,(H2,18,19,21)
InChIKeyOLEKEXKBGUTVDN-UHFFFAOYSA-N
XLogP3.97
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
CID 56567860
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide
CID 99831736
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567827
1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568207
1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567767
1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567735
1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568082
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56567793
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (CID 166193918) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is Cc1noc(C)c1NC(=O)Nc1cccc(OCc2cscn2)c1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The InChIKey is OLEKEXKBGUTVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-15(11(2)23-20-10)19-16(21)18-12-4-3-5-14(6-12)22-7-13-8-24-9-17-13/h3-6,8-9H,7H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea has a molecular weight of 344.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 166193918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).