(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

C19H18FNO — CID 127043823

IUPAC(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3ccccc13)C[C@@H](C)O[C@H]2c1ccc(F)cc1
InChIInChI=1S/C19H18FNO/c1-12-11-21-17-6-4-3-5-16(17)13(2)18(21)19(22-12)14-7-9-15(20)10-8-14/h3-10,12,19H,11H2,1-2H3/t12-,19+/m1/s1
InChIKeyBUHCQRGRPHBFTP-BLVKFPJESA-N
MW295.36 g/mol
LogP4.60
Rot. Bonds1

About (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 127043823) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID127043823
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3ccccc13)C[C@@H](C)O[C@H]2c1ccc(F)cc1
InChIInChI=1S/C19H18FNO/c1-12-11-21-17-6-4-3-5-16(17)13(2)18(21)19(22-12)14-7-9-15(20)10-8-14/h3-10,12,19H,11H2,1-2H3/t12-,19+/m1/s1
InChIKeyBUHCQRGRPHBFTP-BLVKFPJESA-N
XLogP4.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 127043823) is (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is Cc1c2n(c3ccccc13)C[C@@H](C)O[C@H]2c1ccc(F)cc1.
What is the InChIKey of (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is BUHCQRGRPHBFTP-BLVKFPJESA-N. The full InChI is InChI=1S/C19H18FNO/c1-12-11-21-17-6-4-3-5-16(17)13(2)18(21)19(22-12)14-7-9-15(20)10-8-14/h3-10,12,19H,11H2,1-2H3/t12-,19+/m1/s1.
What are the key properties of (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 295.36 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 127043823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).