(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C17H19NO2 — CID 10265091

IUPAC(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2cccc(C3=N[C@@H](C(C)C)CO3)c2c1
InChIInChI=1S/C17H19NO2/c1-11(2)16-10-20-17(18-16)14-6-4-5-12-7-8-13(19-3)9-15(12)14/h4-9,11,16H,10H2,1-3H3/t16-/m1/s1
InChIKeyFUBTTXROFNEHRQ-MRXNPFEDSA-N
MW269.34 g/mol
LogP3.65
Rot. Bonds3

About (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10265091) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10265091
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2cccc(C3=N[C@@H](C(C)C)CO3)c2c1
InChIInChI=1S/C17H19NO2/c1-11(2)16-10-20-17(18-16)14-6-4-5-12-7-8-13(19-3)9-15(12)14/h4-9,11,16H,10H2,1-3H3/t16-/m1/s1
InChIKeyFUBTTXROFNEHRQ-MRXNPFEDSA-N
XLogP3.65
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 10265091) is (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is COc1ccc2cccc(C3=N[C@@H](C(C)C)CO3)c2c1.
What is the InChIKey of (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FUBTTXROFNEHRQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(2)16-10-20-17(18-16)14-6-4-5-12-7-8-13(19-3)9-15(12)14/h4-9,11,16H,10H2,1-3H3/t16-/m1/s1.
What are the key properties of (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 269.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10265091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).