(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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Related Compounds

4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 175669378
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496732
(4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 24823047
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004
2-[(4S)-2-(7-ethoxynaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane
CID 10766107
4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
CID 71317490
(4S)-2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102170775
3-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzene-1,2-diamine
CID 175071327
4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101018695
[3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine
CID 115506395
2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 155898661

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).