2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole

C10H16FNO — CID 169163555

IUPAC2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(C(C)(C)F)oc1C(C)C
InChIInChI=1S/C10H16FNO/c1-6(2)8-7(3)12-9(13-8)10(4,5)11/h6H,1-5H3
InChIKeyNLNLYPOQEBJRKA-UHFFFAOYSA-N
MW185.24 g/mol
LogP3.31
Rot. Bonds2

About 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole

2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole (PubChem CID 169163555) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
PubChem CID169163555
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(C(C)(C)F)oc1C(C)C
InChIInChI=1S/C10H16FNO/c1-6(2)8-7(3)12-9(13-8)10(4,5)11/h6H,1-5H3
InChIKeyNLNLYPOQEBJRKA-UHFFFAOYSA-N
XLogP3.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole (CID 169163555) is 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole is Cc1nc(C(C)(C)F)oc1C(C)C.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is NLNLYPOQEBJRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-6(2)8-7(3)12-9(13-8)10(4,5)11/h6H,1-5H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 185.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169163555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).