3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol

C17H22N2O2 — CID 111496463

IUPAC3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
SMILESCc1cnc(CN(CCCO)C2CCc3ccccc32)o1
InChIInChI=1S/C17H22N2O2/c1-13-11-18-17(21-13)12-19(9-4-10-20)16-8-7-14-5-2-3-6-15(14)16/h2-3,5-6,11,16,20H,4,7-10,12H2,1H3
InChIKeyHUHGNMVXCPRWSM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.85
Rot. Bonds6

About 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol

3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol (PubChem CID 111496463) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
PubChem CID111496463
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
SMILESCc1cnc(CN(CCCO)C2CCc3ccccc32)o1
InChIInChI=1S/C17H22N2O2/c1-13-11-18-17(21-13)12-19(9-4-10-20)16-8-7-14-5-2-3-6-15(14)16/h2-3,5-6,11,16,20H,4,7-10,12H2,1H3
InChIKeyHUHGNMVXCPRWSM-UHFFFAOYSA-N
XLogP2.85
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol with MolForge

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Related Compounds

3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 96547859
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 95627492
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]propan-1-ol
CID 95936420
3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]propan-1-ol
CID 95936419
3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
CID 111333738
3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799415
2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111333577
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 167833665

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol (CID 111496463) is 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol is Cc1cnc(CN(CCCO)C2CCc3ccccc32)o1.
What is the InChIKey of 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
The InChIKey is HUHGNMVXCPRWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-11-18-17(21-13)12-19(9-4-10-20)16-8-7-14-5-2-3-6-15(14)16/h2-3,5-6,11,16,20H,4,7-10,12H2,1H3.
What are the key properties of 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 111496463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).