3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide

C9H12FN3O2 — CID 127832462

IUPAC3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide
SMILESCc1ocnc1CNC(=O)N1CC(F)C1
InChIInChI=1S/C9H12FN3O2/c1-6-8(12-5-15-6)2-11-9(14)13-3-7(10)4-13/h5,7H,2-4H2,1H3,(H,11,14)
InChIKeyOEDPCLDFFJLWRN-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.85
Rot. Bonds2

About 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide

3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide (PubChem CID 127832462) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide
PubChem CID127832462
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide
SMILESCc1ocnc1CNC(=O)N1CC(F)C1
InChIInChI=1S/C9H12FN3O2/c1-6-8(12-5-15-6)2-11-9(14)13-3-7(10)4-13/h5,7H,2-4H2,1H3,(H,11,14)
InChIKeyOEDPCLDFFJLWRN-UHFFFAOYSA-N
XLogP0.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide (CID 127832462) is 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide is Cc1ocnc1CNC(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide?
The InChIKey is OEDPCLDFFJLWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-6-8(12-5-15-6)2-11-9(14)13-3-7(10)4-13/h5,7H,2-4H2,1H3,(H,11,14).
What are the key properties of 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide?
3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide has a molecular weight of 213.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 127832462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).