(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol

C20H18Cl2N2O2 — CID 98871583

IUPAC(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C20H18Cl2N2O2/c1-24(11-14-9-18(23-26-14)12-5-3-2-4-6-12)20-16-7-13(21)8-17(22)15(16)10-19(20)25/h2-9,19-20,25H,10-11H2,1H3/t19-,20-/m1/s1
InChIKeyXCECVQGRQPERES-WOJBJXKFSA-N
MW389.28 g/mol
LogP4.74
Rot. Bonds4

About (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol

(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 98871583) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID98871583
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C20H18Cl2N2O2/c1-24(11-14-9-18(23-26-14)12-5-3-2-4-6-12)20-16-7-13(21)8-17(22)15(16)10-19(20)25/h2-9,19-20,25H,10-11H2,1H3/t19-,20-/m1/s1
InChIKeyXCECVQGRQPERES-WOJBJXKFSA-N
XLogP4.74
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-4,6-dichloro-1-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 94444875
(1S,2R)-4,6-dichloro-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 98871586
(1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 51940905
4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 112841448
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
(1R,2S)-4,6-dichloro-1-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 99604371
3-[[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-2H-isoquinolin-1-one
CID 99699512
(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol
CID 77085335
4-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]butanenitrile
CID 124802998
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol (CID 98871583) is (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol is CN(Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O.
What is the InChIKey of (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is XCECVQGRQPERES-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-24(11-14-9-18(23-26-14)12-5-3-2-4-6-12)20-16-7-13(21)8-17(22)15(16)10-19(20)25/h2-9,19-20,25H,10-11H2,1H3/t19-,20-/m1/s1.
What are the key properties of (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 389.28 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 98871583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).