5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole

C14H17NO2 — CID 78913027

IUPAC5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(C(C)C)cc1OCc1ccno1
InChIInChI=1S/C14H17NO2/c1-10(2)12-5-4-11(3)14(8-12)16-9-13-6-7-15-17-13/h4-8,10H,9H2,1-3H3
InChIKeyMHQUGNDTQIFRPB-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.69
Rot. Bonds4

About 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole

5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole (PubChem CID 78913027) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
PubChem CID78913027
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(C(C)C)cc1OCc1ccno1
InChIInChI=1S/C14H17NO2/c1-10(2)12-5-4-11(3)14(8-12)16-9-13-6-7-15-17-13/h4-8,10H,9H2,1-3H3
InChIKeyMHQUGNDTQIFRPB-UHFFFAOYSA-N
XLogP3.69
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan
CID 59709312
1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 43503809
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 63885020
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine
CID 55201689
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole?
The IUPAC name of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole (CID 78913027) is 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole is Cc1ccc(C(C)C)cc1OCc1ccno1.
What is the InChIKey of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole?
The InChIKey is MHQUGNDTQIFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)12-5-4-11(3)14(8-12)16-9-13-6-7-15-17-13/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole?
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole has a molecular weight of 231.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 78913027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).