N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide

C15H16F2N2O3 — CID 167865150

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide
SMILESCc1noc(C)c1C(C)(C)NC(=O)c1ccc(F)c(O)c1F
InChIInChI=1S/C15H16F2N2O3/c1-7-11(8(2)22-19-7)15(3,4)18-14(21)9-5-6-10(16)13(20)12(9)17/h5-6,20H,1-4H3,(H,18,21)
InChIKeyBJXCNSOKKPCNGY-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.94
Rot. Bonds3

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide (PubChem CID 167865150) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide
PubChem CID167865150
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide
SMILESCc1noc(C)c1C(C)(C)NC(=O)c1ccc(F)c(O)c1F
InChIInChI=1S/C15H16F2N2O3/c1-7-11(8(2)22-19-7)15(3,4)18-14(21)9-5-6-10(16)13(20)12(9)17/h5-6,20H,1-4H3,(H,18,21)
InChIKeyBJXCNSOKKPCNGY-UHFFFAOYSA-N
XLogP2.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide (CID 167865150) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide is Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(F)c(O)c1F.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide?
The InChIKey is BJXCNSOKKPCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c1-7-11(8(2)22-19-7)15(3,4)18-14(21)9-5-6-10(16)13(20)12(9)17/h5-6,20H,1-4H3,(H,18,21).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide has a molecular weight of 310.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide is sourced from PubChem (CID 167865150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).