1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea

C16H18N6O3S — CID 72882705

IUPAC1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCSCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2C)n1
InChIInChI=1S/C16H18N6O3S/c1-9-4-5-11(15-21-20-10(2)24-15)6-12(9)18-16(23)17-7-14-19-13(8-26-3)22-25-14/h4-6H,7-8H2,1-3H3,(H2,17,18,23)
InChIKeyQXZSKAVTOAMRGI-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea

1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 72882705) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID72882705
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCSCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2C)n1
InChIInChI=1S/C16H18N6O3S/c1-9-4-5-11(15-21-20-10(2)24-15)6-12(9)18-16(23)17-7-14-19-13(8-26-3)22-25-14/h4-6H,7-8H2,1-3H3,(H2,17,18,23)
InChIKeyQXZSKAVTOAMRGI-UHFFFAOYSA-N
XLogP2.92
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 72875860
1-(2-chloro-4-fluoro-5-methylphenyl)-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72858536
1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 31224841
N-(2,5-dimethylphenyl)-3-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22587108
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63846099
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402704
4,6-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91797993
N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693237
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 72919615
5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 91796432
3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CID 72882705) is 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea is CSCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2C)n1.
What is the InChIKey of 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is QXZSKAVTOAMRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-9-4-5-11(15-21-20-10(2)24-15)6-12(9)18-16(23)17-7-14-19-13(8-26-3)22-25-14/h4-6H,7-8H2,1-3H3,(H2,17,18,23).
What are the key properties of 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 374.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 72882705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).