(3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C18H24ClFN2O2 — CID 22853671

IUPAC(3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCCN(C(C)C)[C@H]1COc2c(F)ccc(-c3cnco3)c2C1.Cl
InChIInChI=1S/C18H23FN2O2.ClH/c1-4-7-21(12(2)3)13-8-15-14(17-9-20-11-23-17)5-6-16(19)18(15)22-10-13;/h5-6,9,11-13H,4,7-8,10H2,1-3H3;1H/t13-;/m1./s1
InChIKeyXZBATYUEPNEYON-BTQNPOSSSA-N
MW354.85 g/mol
LogP4.33
Rot. Bonds5

About (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

(3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 22853671) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID22853671
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name(3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCCN(C(C)C)[C@H]1COc2c(F)ccc(-c3cnco3)c2C1.Cl
InChIInChI=1S/C18H23FN2O2.ClH/c1-4-7-21(12(2)3)13-8-15-14(17-9-20-11-23-17)5-6-16(19)18(15)22-10-13;/h5-6,9,11-13H,4,7-8,10H2,1-3H3;1H/t13-;/m1./s1
InChIKeyXZBATYUEPNEYON-BTQNPOSSSA-N
XLogP4.33
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 22853671) is (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is CCCN(C(C)C)[C@H]1COc2c(F)ccc(-c3cnco3)c2C1.Cl.
What is the InChIKey of (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is XZBATYUEPNEYON-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H23FN2O2.ClH/c1-4-7-21(12(2)3)13-8-15-14(17-9-20-11-23-17)5-6-16(19)18(15)22-10-13;/h5-6,9,11-13H,4,7-8,10H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
(3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 354.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-fluoro-5-(1,3-oxazol-5-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 22853671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).