(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole

C18H21NO2 — CID 10612982

IUPAC(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2ccccc2cc1C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C18H21NO2/c1-18(2,3)16-11-21-17(19-16)14-9-12-7-5-6-8-13(12)10-15(14)20-4/h5-10,16H,11H2,1-4H3/t16-/m1/s1
InChIKeyDPSTYIXXTJIIJH-MRXNPFEDSA-N
MW283.37 g/mol
LogP4.04
Rot. Bonds2

About (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 10612982) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID10612982
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2ccccc2cc1C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C18H21NO2/c1-18(2,3)16-11-21-17(19-16)14-9-12-7-5-6-8-13(12)10-15(14)20-4/h5-10,16H,11H2,1-4H3/t16-/m1/s1
InChIKeyDPSTYIXXTJIIJH-MRXNPFEDSA-N
XLogP4.04
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 146025915
(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole
CID 11092372
(4S)-2-[2-[2,6-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 23727304
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4S)-2-(1-bromonaphthalen-2-yl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 10404485
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 176507761
(4S)-2-(1-benzothiophen-2-yl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 101234900
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
methyl (2S)-2-[6-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-5-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]propanoate
CID 139992299
(4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 11093925
(4S)-4-tert-butyl-2-isoquinolin-1-yl-4,5-dihydro-1,3-oxazole
CID 71474923

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole (CID 10612982) is (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole is COc1cc2ccccc2cc1C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DPSTYIXXTJIIJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)16-11-21-17(19-16)14-9-12-7-5-6-8-13(12)10-15(14)20-4/h5-10,16H,11H2,1-4H3/t16-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 283.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10612982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).