5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C20H21FN4O3 — CID 70731802

IUPAC5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)N1CCc2onc(C(=O)N(C)C)c2C1
InChIInChI=1S/C20H21FN4O3/c1-11-13(12-5-4-6-15(21)18(12)22-11)9-17(26)25-8-7-16-14(10-25)19(23-28-16)20(27)24(2)3/h4-6,22H,7-10H2,1-3H3
InChIKeyMMQNWNVDBVPHRS-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.43
Rot. Bonds3

About 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 70731802) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID70731802
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)N1CCc2onc(C(=O)N(C)C)c2C1
InChIInChI=1S/C20H21FN4O3/c1-11-13(12-5-4-6-15(21)18(12)22-11)9-17(26)25-8-7-16-14(10-25)19(23-28-16)20(27)24(2)3/h4-6,22H,7-10H2,1-3H3
InChIKeyMMQNWNVDBVPHRS-UHFFFAOYSA-N
XLogP2.43
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.43
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

4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70724139
5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97282767
(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717790
1-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 97131804
5-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97116376
5-(3,4-dihydro-2H-chromene-3-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 72854974
5-[[[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72932073
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 78852452
N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 70737035
(3R)-3-benzyl-4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97128140
(1S,4S)-12-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-4-methyl-7-phenyl-3,6,8,9,12,17-hexazatricyclo[15.3.0.05,9]icosa-5,7-diene-2,16-dione
CID 166615969

Frequently Asked Questions

What is the IUPAC name of 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 70731802) is 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCc2onc(C(=O)N(C)C)c2C1.
What is the InChIKey of 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is MMQNWNVDBVPHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-11-13(12-5-4-6-15(21)18(12)22-11)9-17(26)25-8-7-16-14(10-25)19(23-28-16)20(27)24(2)3/h4-6,22H,7-10H2,1-3H3.
What are the key properties of 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 70731802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).