5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide

C16H17N3O2 — CID 112529696

IUPAC5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C16H17N3O2/c1-10-9-18-16(21-10)15(20)17-8-7-12-11(2)19-14-6-4-3-5-13(12)14/h3-6,9,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyLWLSAAUXJKEATK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds4

About 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide

5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide (PubChem CID 112529696) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
PubChem CID112529696
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C16H17N3O2/c1-10-9-18-16(21-10)15(20)17-8-7-12-11(2)19-14-6-4-3-5-13(12)14/h3-6,9,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyLWLSAAUXJKEATK-UHFFFAOYSA-N
XLogP2.75
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 68572367
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795628
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71975738
4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128767

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide (CID 112529696) is 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)NCCc2c(C)[nH]c3ccccc23)o1.
What is the InChIKey of 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
The InChIKey is LWLSAAUXJKEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-9-18-16(21-10)15(20)17-8-7-12-11(2)19-14-6-4-3-5-13(12)14/h3-6,9,19H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 112529696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).