1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea

C17H23N5O3 — CID 118792906

IUPAC1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCc1nnc(CNC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)o1
InChIInChI=1S/C17H23N5O3/c1-12-20-21-16(24-12)11-18-17(23)19-13-3-5-14(6-4-13)25-15-7-9-22(2)10-8-15/h3-6,15H,7-11H2,1-2H3,(H2,18,19,23)
InChIKeyUGUWIGRUEHCTIW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.17
Rot. Bonds5

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

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (PubChem CID 118792906) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
PubChem CID118792906
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCc1nnc(CNC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)o1
InChIInChI=1S/C17H23N5O3/c1-12-20-21-16(24-12)11-18-17(23)19-13-3-5-14(6-4-13)25-15-7-9-22(2)10-8-15/h3-6,15H,7-11H2,1-2H3,(H2,18,19,23)
InChIKeyUGUWIGRUEHCTIW-UHFFFAOYSA-N
XLogP2.17
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea with MolForge

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Related Compounds

1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate
CID 72925955
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131901818
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (CID 118792906) is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is Cc1nnc(CNC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)o1.
What is the InChIKey of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The InChIKey is UGUWIGRUEHCTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-20-21-16(24-12)11-18-17(23)19-13-3-5-14(6-4-13)25-15-7-9-22(2)10-8-15/h3-6,15H,7-11H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea has a molecular weight of 345.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 118792906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).