N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H17ClN2O2 — CID 3158088

IUPACN-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,3)16-13(18)12-8-11(17-19-12)9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,16,18)
InChIKeyIYGAVXBMBXFNLS-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.75
Rot. Bonds2

About N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158088) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158088
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,3)16-13(18)12-8-11(17-19-12)9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,16,18)
InChIKeyIYGAVXBMBXFNLS-UHFFFAOYSA-N
XLogP2.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158088) is N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)(C)NC(=O)C1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IYGAVXBMBXFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(2,3)16-13(18)12-8-11(17-19-12)9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).