N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H17FN2O2 — CID 20869152

IUPACN-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC(C)NC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-3-9(2)16-14(18)13-8-12(17-19-13)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3,(H,16,18)
InChIKeyNYAYDQSMQVZKGF-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds4

About N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 20869152) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID20869152
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC(C)NC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-3-9(2)16-14(18)13-8-12(17-19-13)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3,(H,16,18)
InChIKeyNYAYDQSMQVZKGF-UHFFFAOYSA-N
XLogP2.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 20869152) is N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCC(C)NC(=O)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NYAYDQSMQVZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-9(2)16-14(18)13-8-12(17-19-13)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20869152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).