1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide

C16H17N3O2 — CID 110501576

IUPAC1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(C)on2)c(C)c2ccccc21
InChIInChI=1S/C16H17N3O2/c1-4-19-13-8-6-5-7-12(13)11(3)15(19)16(20)17-14-9-10(2)21-18-14/h5-9H,4H2,1-3H3,(H,17,18,20)
InChIKeyZPRVKIIQUNINMN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.52
Rot. Bonds3

About 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide

1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide (PubChem CID 110501576) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
PubChem CID110501576
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(C)on2)c(C)c2ccccc21
InChIInChI=1S/C16H17N3O2/c1-4-19-13-8-6-5-7-12(13)11(3)15(19)16(20)17-14-9-10(2)21-18-14/h5-9H,4H2,1-3H3,(H,17,18,20)
InChIKeyZPRVKIIQUNINMN-UHFFFAOYSA-N
XLogP3.52
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 618401
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110501459
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
CID 110497414

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide (CID 110501576) is 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide is CCn1c(C(=O)Nc2cc(C)on2)c(C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
The InChIKey is ZPRVKIIQUNINMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-19-13-8-6-5-7-12(13)11(3)15(19)16(20)17-14-9-10(2)21-18-14/h5-9H,4H2,1-3H3,(H,17,18,20).
What are the key properties of 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide is sourced from PubChem (CID 110501576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).