(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C22H28N2O4 — CID 170509426

IUPAC(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCc3oc(CCC(C)C)nc3C1)C2
InChIInChI=1S/C22H28N2O4/c1-14(2)7-8-20-23-17-12-24(10-9-18(17)28-20)22(25)16-11-15-5-4-6-19(26-3)21(15)27-13-16/h4-6,14,16H,7-13H2,1-3H3
InChIKeyQOMHYGLWNIVMSQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.41
Rot. Bonds5

About (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170509426) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID170509426
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCc3oc(CCC(C)C)nc3C1)C2
InChIInChI=1S/C22H28N2O4/c1-14(2)7-8-20-23-17-12-24(10-9-18(17)28-20)22(25)16-11-15-5-4-6-19(26-3)21(15)27-13-16/h4-6,14,16H,7-13H2,1-3H3
InChIKeyQOMHYGLWNIVMSQ-UHFFFAOYSA-N
XLogP3.41
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(4-hydroxy-3,5-dimethoxyphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507395
(2,3-dichlorophenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418475
methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate
CID 170510282
3-methoxy-1-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169419723
4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 96573246
7-[(3S)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136804297
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95202129
(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170505726
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72854779
1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421964
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 72871709

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 170509426) is (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is COc1cccc2c1OCC(C(=O)N1CCc3oc(CCC(C)C)nc3C1)C2.
What is the InChIKey of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is QOMHYGLWNIVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)7-8-20-23-17-12-24(10-9-18(17)28-20)22(25)16-11-15-5-4-6-19(26-3)21(15)27-13-16/h4-6,14,16H,7-13H2,1-3H3.
What are the key properties of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170509426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).