2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide

C19H22FN3O2 — CID 42309035

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)Cc3c(C)noc3C)cc(F)cc2c1C
InChIInChI=1S/C19H22FN3O2/c1-5-17-10(2)15-7-14(20)6-13(19(15)22-17)9-21-18(24)8-16-11(3)23-25-12(16)4/h6-7,22H,5,8-9H2,1-4H3,(H,21,24)
InChIKeyZQCDQZGDWVKNTO-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.64
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 42309035) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
PubChem CID42309035
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)Cc3c(C)noc3C)cc(F)cc2c1C
InChIInChI=1S/C19H22FN3O2/c1-5-17-10(2)15-7-14(20)6-13(19(15)22-17)9-21-18(24)8-16-11(3)23-25-12(16)4/h6-7,22H,5,8-9H2,1-4H3,(H,21,24)
InChIKeyZQCDQZGDWVKNTO-UHFFFAOYSA-N
XLogP3.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.64
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

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-methoxypyridine-2-carboxamide
CID 56918169
(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
CID 95426875
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654562
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 56874343
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 70730545
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665153
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 18200774

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide (CID 42309035) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide is CCc1[nH]c2c(CNC(=O)Cc3c(C)noc3C)cc(F)cc2c1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is ZQCDQZGDWVKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-5-17-10(2)15-7-14(20)6-13(19(15)22-17)9-21-18(24)8-16-11(3)23-25-12(16)4/h6-7,22H,5,8-9H2,1-4H3,(H,21,24).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 42309035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).