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

C19H21N3O4 — CID 97116376

IUPAC5-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1noc2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2
InChIInChI=1S/C19H21N3O4/c1-21(2)19(24)17-14-10-22(8-7-16(14)26-20-17)18(23)13-9-12-5-3-4-6-15(12)25-11-13/h3-6,13H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyHWPIUFDWRGSIFX-CYBMUJFWSA-N
MW355.39 g/mol
LogP1.51
Rot. Bonds2

About 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

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 (PubChem CID 97116376) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID97116376
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1noc2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2
InChIInChI=1S/C19H21N3O4/c1-21(2)19(24)17-14-10-22(8-7-16(14)26-20-17)18(23)13-9-12-5-3-4-6-15(12)25-11-13/h3-6,13H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyHWPIUFDWRGSIFX-CYBMUJFWSA-N
XLogP1.51
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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-[(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
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734429
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 155985561
[3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 31259672
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874781
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1noc2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2.
What is the InChIKey of 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?
The InChIKey is HWPIUFDWRGSIFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21(2)19(24)17-14-10-22(8-7-16(14)26-20-17)18(23)13-9-12-5-3-4-6-15(12)25-11-13/h3-6,13H,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 355.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97116376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).