4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole

C18H21NO2 — CID 142811813

IUPAC4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole
SMILESCCC#CC(CCc1nc(-c2ccccc2)oc1C)OC
InChIInChI=1S/C18H21NO2/c1-4-5-11-16(20-3)12-13-17-14(2)21-18(19-17)15-9-7-6-8-10-15/h6-10,16H,4,12-13H2,1-3H3
InChIKeyWJUCPDQBSIJJBM-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.01
Rot. Bonds5

About 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole

4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 142811813) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole
PubChem CID142811813
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole
SMILESCCC#CC(CCc1nc(-c2ccccc2)oc1C)OC
InChIInChI=1S/C18H21NO2/c1-4-5-11-16(20-3)12-13-17-14(2)21-18(19-17)15-9-7-6-8-10-15/h6-10,16H,4,12-13H2,1-3H3
InChIKeyWJUCPDQBSIJJBM-UHFFFAOYSA-N
XLogP4.01
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-ol
CID 67747137
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
N-benzyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]hydroxylamine
CID 23176293
N-(2-methoxyethyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110647568
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane
CID 139973551
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 97311968

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole (CID 142811813) is 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole is CCC#CC(CCc1nc(-c2ccccc2)oc1C)OC.
What is the InChIKey of 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is WJUCPDQBSIJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-5-11-16(20-3)12-13-17-14(2)21-18(19-17)15-9-7-6-8-10-15/h6-10,16H,4,12-13H2,1-3H3.
What are the key properties of 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole?
4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 283.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 142811813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).