2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole

C14H17NO2 — CID 154771329

IUPAC2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccccc1-c1cnc(C(C)(C)C)o1
InChIInChI=1S/C14H17NO2/c1-14(2,3)13-15-9-12(17-13)10-7-5-6-8-11(10)16-4/h5-9H,1-4H3
InChIKeyARQXKGXZBKMSBN-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.65
Rot. Bonds2

About 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole

2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole (PubChem CID 154771329) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole
PubChem CID154771329
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccccc1-c1cnc(C(C)(C)C)o1
InChIInChI=1S/C14H17NO2/c1-14(2,3)13-15-9-12(17-13)10-7-5-6-8-11(10)16-4/h5-9H,1-4H3
InChIKeyARQXKGXZBKMSBN-UHFFFAOYSA-N
XLogP3.65
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 65180005
2-(azetidin-3-yl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115037712
3-tert-butyl-5-(2-methoxyphenyl)-1,2-oxazole
CID 129255453
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
2-(azetidin-3-ylmethyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115045283
7-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]heptanal
CID 89098544
4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol
CID 99812055
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550
5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid
CID 121231725
2-(2,3-dimethoxyphenyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 164621273
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)furan
CID 132514365

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole (CID 154771329) is 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole is COc1ccccc1-c1cnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole?
The InChIKey is ARQXKGXZBKMSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)13-15-9-12(17-13)10-7-5-6-8-11(10)16-4/h5-9H,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole?
2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole has a molecular weight of 231.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 154771329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).