(2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate

C20H18ClN3O3 — CID 68621490

IUPAC(2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1nc2cccc(OC(=O)NCCc3c(C)[nH]c4c(Cl)cccc34)c2o1
InChIInChI=1S/C20H18ClN3O3/c1-11-13(14-5-3-6-15(21)18(14)23-11)9-10-22-20(25)27-17-8-4-7-16-19(17)26-12(2)24-16/h3-8,23H,9-10H2,1-2H3,(H,22,25)
InChIKeyMSYDCCQZXLPMTQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.91
Rot. Bonds4

About (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate

(2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate (PubChem CID 68621490) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name(2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
PubChem CID68621490
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name(2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1nc2cccc(OC(=O)NCCc3c(C)[nH]c4c(Cl)cccc34)c2o1
InChIInChI=1S/C20H18ClN3O3/c1-11-13(14-5-3-6-15(21)18(14)23-11)9-10-22-20(25)27-17-8-4-7-16-19(17)26-12(2)24-16/h3-8,23H,9-10H2,1-2H3,(H,22,25)
InChIKeyMSYDCCQZXLPMTQ-UHFFFAOYSA-N
XLogP4.91
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 102125235
quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate
CID 91132976
(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 68572367
2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide
CID 1262101
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
(3,5-dimethyl-1,2-oxazol-4-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 68622126
(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
CID 83823725
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-2,5-dimethyl-4-propoxybenzenesulfonamide
CID 5295257
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
CID 59173231
1-(5-chloro-1H-indol-2-yl)-5-(7-chloro-2-methyl-1H-indol-3-yl)pentan-1-one
CID 91516728

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate (CID 68621490) is (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate is Cc1nc2cccc(OC(=O)NCCc3c(C)[nH]c4c(Cl)cccc34)c2o1.
What is the InChIKey of (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is MSYDCCQZXLPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-11-13(14-5-3-6-15(21)18(14)23-11)9-10-22-20(25)27-17-8-4-7-16-19(17)26-12(2)24-16/h3-8,23H,9-10H2,1-2H3,(H,22,25).
What are the key properties of (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate?
(2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 383.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 68621490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).