4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide

C14H11ClF2N2O2 — CID 167927226

IUPAC4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCc1cnoc1C1CC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-10-4-11(16)9(3-12(10)17)14(20)18-5-8-6-19-21-13(8)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,18,20)
InChIKeyDFDVTXYJEUBGNH-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.41
Rot. Bonds4

About 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide

4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide (PubChem CID 167927226) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide
PubChem CID167927226
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCc1cnoc1C1CC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-10-4-11(16)9(3-12(10)17)14(20)18-5-8-6-19-21-13(8)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,18,20)
InChIKeyDFDVTXYJEUBGNH-UHFFFAOYSA-N
XLogP3.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide (CID 167927226) is 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide is O=C(NCc1cnoc1C1CC1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide?
The InChIKey is DFDVTXYJEUBGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-10-4-11(16)9(3-12(10)17)14(20)18-5-8-6-19-21-13(8)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,18,20).
What are the key properties of 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide?
4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide has a molecular weight of 312.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 167927226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).