N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine

C16H23N3O2 — CID 97410170

IUPACN-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1noc2c1CN(Cc1ccoc1)CC2
InChIInChI=1S/C16H23N3O2/c1-12(2)18(3)10-15-14-9-19(6-4-16(14)21-17-15)8-13-5-7-20-11-13/h5,7,11-12H,4,6,8-10H2,1-3H3
InChIKeyQDLVTCVTJUPDCH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.67
Rot. Bonds5

About N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine

N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine (PubChem CID 97410170) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
PubChem CID97410170
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1noc2c1CN(Cc1ccoc1)CC2
InChIInChI=1S/C16H23N3O2/c1-12(2)18(3)10-15-14-9-19(6-4-16(14)21-17-15)8-13-5-7-20-11-13/h5,7,11-12H,4,6,8-10H2,1-3H3
InChIKeyQDLVTCVTJUPDCH-UHFFFAOYSA-N
XLogP2.67
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine with MolForge

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Related Compounds

N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine
CID 97405638
(4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 155873407
[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone
CID 131697231
6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97381634
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
7-(furan-3-ylmethyl)-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381245
3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463619
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
CID 118742168
[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol
CID 97405891
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 83172634
4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide
CID 141060502
2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
CID 56753169

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine (CID 97410170) is N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1noc2c1CN(Cc1ccoc1)CC2.
What is the InChIKey of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is QDLVTCVTJUPDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)18(3)10-15-14-9-19(6-4-16(14)21-17-15)8-13-5-7-20-11-13/h5,7,11-12H,4,6,8-10H2,1-3H3.
What are the key properties of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 97410170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).