5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide

C14H14ClFN2O2 — CID 73051560

IUPAC5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C14H14ClFN2O2/c1-14(2,3)12-7-11(18-20-12)13(19)17-8-4-5-10(16)9(15)6-8/h4-7H,1-3H3,(H,17,19)
InChIKeyMHACFZWEKUXCNT-UHFFFAOYSA-N
MW296.73 g/mol
LogP4.02
Rot. Bonds2

About 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide

5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 73051560) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID73051560
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C14H14ClFN2O2/c1-14(2,3)12-7-11(18-20-12)13(19)17-8-4-5-10(16)9(15)6-8/h4-7H,1-3H3,(H,17,19)
InChIKeyMHACFZWEKUXCNT-UHFFFAOYSA-N
XLogP4.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 22427594
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
CID 58349862
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 73051560) is 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide is CC(C)(C)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MHACFZWEKUXCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-14(2,3)12-7-11(18-20-12)13(19)17-8-4-5-10(16)9(15)6-8/h4-7H,1-3H3,(H,17,19).
What are the key properties of 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 296.73 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 73051560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).