(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

C19H20FNO — CID 154713366

IUPAC(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESCC(C)(F)[C@H]1CC[C@@H]2N=C(c3cccc4ccccc34)O[C@@H]21
InChIInChI=1S/C19H20FNO/c1-19(2,20)15-10-11-16-17(15)22-18(21-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-17H,10-11H2,1-2H3/t15-,16-,17+/m0/s1
InChIKeyJTSGRWYAYSYRBN-YESZJQIVSA-N
MW297.37 g/mol
LogP4.51
Rot. Bonds2

About (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (PubChem CID 154713366) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
PubChem CID154713366
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESCC(C)(F)[C@H]1CC[C@@H]2N=C(c3cccc4ccccc34)O[C@@H]21
InChIInChI=1S/C19H20FNO/c1-19(2,20)15-10-11-16-17(15)22-18(21-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-17H,10-11H2,1-2H3/t15-,16-,17+/m0/s1
InChIKeyJTSGRWYAYSYRBN-YESZJQIVSA-N
XLogP4.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
(3aS,5R,6R,6aR)-5-fluoro-6-methyl-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 139050903
(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 139050906
(3aS,6S,6aR)-6-(3-fluoropentan-3-yl)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154714050
(3aS,5R,6R,6aR)-5-fluoro-6-methyl-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154714727
(4S)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 10901168
2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 11673275
(4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 13239095
4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole
CID 86092672
2-(Naphthalen-1-yl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 134159685
(3aR,5S,6S,6aS)-5-fluoro-6-methyl-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole;(3aS,5R,6R,6aR)-5-fluoro-6-methyl-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 139050901
(3aR,6R,6aS)-6-(2-fluoropropan-2-yl)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole;(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 139050904

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The IUPAC name of (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (CID 154713366) is (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.
What is the SMILES notation for (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The canonical SMILES for (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is CC(C)(F)[C@H]1CC[C@@H]2N=C(c3cccc4ccccc34)O[C@@H]21.
What is the InChIKey of (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The InChIKey is JTSGRWYAYSYRBN-YESZJQIVSA-N. The full InChI is InChI=1S/C19H20FNO/c1-19(2,20)15-10-11-16-17(15)22-18(21-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-17H,10-11H2,1-2H3/t15-,16-,17+/m0/s1.
What are the key properties of (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole has a molecular weight of 297.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is sourced from PubChem (CID 154713366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).