butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid

C15H15F3N2O3 — CID 151987572

IUPACbutyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid
SMILESCCCCN(C(=O)O)c1ccc(-c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C15H15F3N2O3/c1-2-3-8-20(14(21)22)11-6-4-10(5-7-11)12-9-13(23-19-12)15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,21,22)
InChIKeyUDZGYRLKSWQXES-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.64
Rot. Bonds5

About butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid

butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid (PubChem CID 151987572) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid.

Molecular Properties

Compound Namebutyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid
PubChem CID151987572
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Namebutyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid
SMILESCCCCN(C(=O)O)c1ccc(-c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C15H15F3N2O3/c1-2-3-8-20(14(21)22)11-6-4-10(5-7-11)12-9-13(23-19-12)15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,21,22)
InChIKeyUDZGYRLKSWQXES-UHFFFAOYSA-N
XLogP4.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid?
The IUPAC name of butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid (CID 151987572) is butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid.
What is the SMILES notation for butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid?
The canonical SMILES for butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid is CCCCN(C(=O)O)c1ccc(-c2cc(C(F)(F)F)on2)cc1.
What is the InChIKey of butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid?
The InChIKey is UDZGYRLKSWQXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-2-3-8-20(14(21)22)11-6-4-10(5-7-11)12-9-13(23-19-12)15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,21,22).
What are the key properties of butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid?
butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid has a molecular weight of 328.29 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid is sourced from PubChem (CID 151987572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).