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

C20H26N6O3 — CID 126773392

IUPAC1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESCc1nc(CN(C)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)no1
InChIInChI=1S/C20H26N6O3/c1-15-21-19(23-29-15)14-24(2)20(27)22-17-3-4-18-16(13-17)5-6-26(18)8-7-25-9-11-28-12-10-25/h3-6,13H,7-12,14H2,1-2H3,(H,22,27)
InChIKeyYYFPKJFPAQGOEC-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.33
Rot. Bonds6

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

1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (PubChem CID 126773392) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
PubChem CID126773392
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESCc1nc(CN(C)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)no1
InChIInChI=1S/C20H26N6O3/c1-15-21-19(23-29-15)14-24(2)20(27)22-17-3-4-18-16(13-17)5-6-26(18)8-7-25-9-11-28-12-10-25/h3-6,13H,7-12,14H2,1-2H3,(H,22,27)
InChIKeyYYFPKJFPAQGOEC-UHFFFAOYSA-N
XLogP2.33
TPSA88.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide
CID 49498040
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
2-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pentanamide;dihydrochloride
CID 119864723
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
CID 56557229
4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide
CID 56556621
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pyrrolidine-2-carboxamide
CID 119864704
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 49498023
1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56549716
N-[3-[[[1-(2-morpholin-4-ylethyl)indol-5-yl]carbamoylamino]methyl]phenyl]acetamide
CID 56556717

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (CID 126773392) is 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is Cc1nc(CN(C)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)no1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The InChIKey is YYFPKJFPAQGOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-15-21-19(23-29-15)14-24(2)20(27)22-17-3-4-18-16(13-17)5-6-26(18)8-7-25-9-11-28-12-10-25/h3-6,13H,7-12,14H2,1-2H3,(H,22,27).
What are the key properties of 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea has a molecular weight of 398.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is sourced from PubChem (CID 126773392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).