1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C17H22N4O2 — CID 75442560

IUPAC1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC2(C)CCCc3ccccc32)no1
InChIInChI=1S/C17H22N4O2/c1-12-20-15(21-23-12)10-18-16(22)19-11-17(2)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8H,5,7,9-11H2,1-2H3,(H2,18,19,22)
InChIKeyCJEVACDGUSPCPK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.47
Rot. Bonds4

About 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 75442560) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID75442560
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC2(C)CCCc3ccccc32)no1
InChIInChI=1S/C17H22N4O2/c1-12-20-15(21-23-12)10-18-16(22)19-11-17(2)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8H,5,7,9-11H2,1-2H3,(H2,18,19,22)
InChIKeyCJEVACDGUSPCPK-UHFFFAOYSA-N
XLogP2.47
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 75442560) is 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)NCC2(C)CCCc3ccccc32)no1.
What is the InChIKey of 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is CJEVACDGUSPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-20-15(21-23-12)10-18-16(22)19-11-17(2)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8H,5,7,9-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 75442560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).