1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea

C17H19ClN4O2 — CID 177338113

IUPAC1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1cc2cc(Cl)c(CCc3cc(C)on3)cc2[nH]1
InChIInChI=1S/C17H19ClN4O2/c1-10-5-13(22-24-10)4-3-11-8-16-12(7-15(11)18)6-14(21-16)9-20-17(23)19-2/h5-8,21H,3-4,9H2,1-2H3,(H2,19,20,23)
InChIKeySPYIMWXIBDDZFG-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.33
Rot. Bonds5

About 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea

1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea (PubChem CID 177338113) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea
PubChem CID177338113
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1cc2cc(Cl)c(CCc3cc(C)on3)cc2[nH]1
InChIInChI=1S/C17H19ClN4O2/c1-10-5-13(22-24-10)4-3-11-8-16-12(7-15(11)18)6-14(21-16)9-20-17(23)19-2/h5-8,21H,3-4,9H2,1-2H3,(H2,19,20,23)
InChIKeySPYIMWXIBDDZFG-UHFFFAOYSA-N
XLogP3.33
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea with MolForge

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Related Compounds

N-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethenyl]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 174242736
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide
CID 174324497
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide
CID 171518390
N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane
CID 171519595
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110608950
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518968
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 171517886
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 130290213
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2,2-difluoroethyl)urea
CID 171519675
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea (CID 177338113) is 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea is CNC(=O)NCc1cc2cc(Cl)c(CCc3cc(C)on3)cc2[nH]1.
What is the InChIKey of 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea?
The InChIKey is SPYIMWXIBDDZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-10-5-13(22-24-10)4-3-11-8-16-12(7-15(11)18)6-14(21-16)9-20-17(23)19-2/h5-8,21H,3-4,9H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea?
1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea has a molecular weight of 346.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea is sourced from PubChem (CID 177338113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).