1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C17H22N6O2 — CID 75374588

IUPAC1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)no1
InChIInChI=1S/C17H22N6O2/c1-12-19-16(21-25-12)11-18-17(24)20-14-4-5-15-13(10-14)6-7-23(15)9-8-22(2)3/h4-7,10H,8-9,11H2,1-3H3,(H2,18,20,24)
InChIKeyBCLYWNXXWTYMPO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.22
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 75374588) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID75374588
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)no1
InChIInChI=1S/C17H22N6O2/c1-12-19-16(21-25-12)11-18-17(24)20-14-4-5-15-13(10-14)6-7-23(15)9-8-22(2)3/h4-7,10H,8-9,11H2,1-3H3,(H2,18,20,24)
InChIKeyBCLYWNXXWTYMPO-UHFFFAOYSA-N
XLogP2.22
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 75374588) is 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)no1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is BCLYWNXXWTYMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-19-16(21-25-12)11-18-17(24)20-14-4-5-15-13(10-14)6-7-23(15)9-8-22(2)3/h4-7,10H,8-9,11H2,1-3H3,(H2,18,20,24).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 75374588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).