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

C16H16ClN3O2 — CID 110502203

IUPAC5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(C)on2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3O2/c1-4-20-13-6-5-11(17)8-12(13)10(3)15(20)16(21)18-14-7-9(2)22-19-14/h5-8H,4H2,1-3H3,(H,18,19,21)
InChIKeyQCTAZFMBRFESKK-UHFFFAOYSA-N
MW317.78 g/mol
LogP4.17
Rot. Bonds3

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

5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide (PubChem CID 110502203) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
PubChem CID110502203
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(C)on2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3O2/c1-4-20-13-6-5-11(17)8-12(13)10(3)15(20)16(21)18-14-7-9(2)22-19-14/h5-8H,4H2,1-3H3,(H,18,19,21)
InChIKeyQCTAZFMBRFESKK-UHFFFAOYSA-N
XLogP4.17
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 54.17
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

1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-chloro-N-(2-chloro-3-pyridinyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502209
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide
CID 110498960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide (CID 110502203) is 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide is CCn1c(C(=O)Nc2cc(C)on2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
The InChIKey is QCTAZFMBRFESKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-4-20-13-6-5-11(17)8-12(13)10(3)15(20)16(21)18-14-7-9(2)22-19-14/h5-8H,4H2,1-3H3,(H,18,19,21).
What are the key properties of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide?
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide is sourced from PubChem (CID 110502203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).