5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C20H26N4O3 — CID 97282767

IUPAC5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1ccccc1[C@@H](C(=O)N1CCc2onc(C(=O)N(C)C)c2C1)N(C)C
InChIInChI=1S/C20H26N4O3/c1-13-8-6-7-9-14(13)18(22(2)3)20(26)24-11-10-16-15(12-24)17(21-27-16)19(25)23(4)5/h6-9,18H,10-12H2,1-5H3/t18-/m0/s1
InChIKeyICJNXYBWMVBZTB-SFHVURJKSA-N
MW370.45 g/mol
LogP1.87
Rot. Bonds4

About 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 97282767) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID97282767
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1ccccc1[C@@H](C(=O)N1CCc2onc(C(=O)N(C)C)c2C1)N(C)C
InChIInChI=1S/C20H26N4O3/c1-13-8-6-7-9-14(13)18(22(2)3)20(26)24-11-10-16-15(12-24)17(21-27-16)19(25)23(4)5/h6-9,18H,10-12H2,1-5H3/t18-/m0/s1
InChIKeyICJNXYBWMVBZTB-SFHVURJKSA-N
XLogP1.87
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(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-[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
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97285815
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057
(2R)-2-hydroxy-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 95212543
2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone
CID 56758184
2-(dimethylamino)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 72865250
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 96530829
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 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) is 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is Cc1ccccc1[C@@H](C(=O)N1CCc2onc(C(=O)N(C)C)c2C1)N(C)C.
What is the InChIKey of 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is ICJNXYBWMVBZTB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-8-6-7-9-14(13)18(22(2)3)20(26)24-11-10-16-15(12-24)17(21-27-16)19(25)23(4)5/h6-9,18H,10-12H2,1-5H3/t18-/m0/s1.
What are the key properties of 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 97282767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).