(3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole

C14H17NO — CID 10889290

IUPAC(3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
SMILESc1ccc(CC[C@@H]2CC[C@H]3CON=C23)cc1
InChIInChI=1S/C14H17NO/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-16-15-14(12)13/h1-5,12-13H,6-10H2/t12-,13+/m1/s1
InChIKeyRYLHQKMQTOVLST-OLZOCXBDSA-N
MW215.30 g/mol
LogP3.03
Rot. Bonds3

About (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole

(3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole (PubChem CID 10889290) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole.

Molecular Properties

Compound Name(3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
PubChem CID10889290
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
SMILESc1ccc(CC[C@@H]2CC[C@H]3CON=C23)cc1
InChIInChI=1S/C14H17NO/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-16-15-14(12)13/h1-5,12-13H,6-10H2/t12-,13+/m1/s1
InChIKeyRYLHQKMQTOVLST-OLZOCXBDSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole with MolForge

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Related Compounds

2-(2-phenylethyl)oxetane
CID 13354102
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
CID 59041484
2-[2-(2-phenylethoxy)ethyl]oxirane
CID 22768284
2-phenylethylcyclooctane
CID 54073487
3-phenyl-5-(2-phenylethyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 4304756
(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
CID 71403895
2-(2-phenylethyl)-2,5-dihydrofuran
CID 15808466
(2R,4R)-3-benzyl-4-phenyl-2-(2-phenylethyl)-1,3-oxazolidine
CID 11067883
5-phenyl-11-oxa-3,4,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4-triene
CID 132961491

Frequently Asked Questions

What is the IUPAC name of (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
The IUPAC name of (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole (CID 10889290) is (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole.
What is the SMILES notation for (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
The canonical SMILES for (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole is c1ccc(CC[C@@H]2CC[C@H]3CON=C23)cc1.
What is the InChIKey of (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
The InChIKey is RYLHQKMQTOVLST-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-16-15-14(12)13/h1-5,12-13H,6-10H2/t12-,13+/m1/s1.
What are the key properties of (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
(3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole is sourced from PubChem (CID 10889290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).