2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol

C17H22N2O2 — CID 96547859

IUPAC2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)[C@H]2CCc3ccccc32)oc1C
InChIInChI=1S/C17H22N2O2/c1-12-13(2)21-17(18-12)11-19(9-10-20)16-8-7-14-5-3-4-6-15(14)16/h3-6,16,20H,7-11H2,1-2H3/t16-/m0/s1
InChIKeyRPYZYEPZPFRCDZ-INIZCTEOSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds5

About 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol (PubChem CID 96547859) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
PubChem CID96547859
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)[C@H]2CCc3ccccc32)oc1C
InChIInChI=1S/C17H22N2O2/c1-12-13(2)21-17(18-12)11-19(9-10-20)16-8-7-14-5-3-4-6-15(14)16/h3-6,16,20H,7-11H2,1-2H3/t16-/m0/s1
InChIKeyRPYZYEPZPFRCDZ-INIZCTEOSA-N
XLogP2.77
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111496463
2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111333577
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 95627492
2-[2,3-dihydro-1H-inden-1-yl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]ethanol
CID 111333542
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
CID 95627737
N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 55735190

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol (CID 96547859) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol is Cc1nc(CN(CCO)[C@H]2CCc3ccccc32)oc1C.
What is the InChIKey of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
The InChIKey is RPYZYEPZPFRCDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-13(2)21-17(18-12)11-19(9-10-20)16-8-7-14-5-3-4-6-15(14)16/h3-6,16,20H,7-11H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 96547859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).