N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine

C18H21N3O — CID 67803223

IUPACN,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine
SMILESCN(C)C1CC(c2c[nH]c3ccc(Cc4cnco4)cc23)C1
InChIInChI=1S/C18H21N3O/c1-21(2)14-7-13(8-14)17-10-20-18-4-3-12(6-16(17)18)5-15-9-19-11-22-15/h3-4,6,9-11,13-14,20H,5,7-8H2,1-2H3
InChIKeyWFWJLFZPZGRMTQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.55
Rot. Bonds4

About N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine

N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine (PubChem CID 67803223) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine
PubChem CID67803223
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine
SMILESCN(C)C1CC(c2c[nH]c3ccc(Cc4cnco4)cc23)C1
InChIInChI=1S/C18H21N3O/c1-21(2)14-7-13(8-14)17-10-20-18-4-3-12(6-16(17)18)5-15-9-19-11-22-15/h3-4,6,9-11,13-14,20H,5,7-8H2,1-2H3
InChIKeyWFWJLFZPZGRMTQ-UHFFFAOYSA-N
XLogP3.55
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]cyclobutan-1-amine
CID 10852406
4-[[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18366015
3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid
CID 18691549
3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide
CID 139752018
N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide
CID 10617665
4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide
CID 67610893
5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 19022976
4-[[3-(3-aminocyclobutyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18691541
2-[3-(1,1-dimethylpiperidin-1-ium-4-yl)-1H-indol-5-yl]-N-methylethanesulfonamide
CID 85260849
benzyl N-[3-[5-[2-[2-(dimethylamino)ethylideneamino]-2-oxoethyl]-1H-indol-3-yl]cyclobutyl]carbamate
CID 70269309
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine (CID 67803223) is N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine is CN(C)C1CC(c2c[nH]c3ccc(Cc4cnco4)cc23)C1.
What is the InChIKey of N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine?
The InChIKey is WFWJLFZPZGRMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21(2)14-7-13(8-14)17-10-20-18-4-3-12(6-16(17)18)5-15-9-19-11-22-15/h3-4,6,9-11,13-14,20H,5,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine?
N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 67803223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).