N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide

C14H14Cl2N2O2 — CID 17173901

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O2/c1-14(2,3)11-7-12(18-20-11)17-13(19)9-5-4-8(15)6-10(9)16/h4-7H,1-3H3,(H,17,18,19)
InChIKeyTZFLFPRRNQJNAA-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.53
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide (PubChem CID 17173901) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
PubChem CID17173901
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O2/c1-14(2,3)11-7-12(18-20-11)17-13(19)9-5-4-8(15)6-10(9)16/h4-7H,1-3H3,(H,17,18,19)
InChIKeyTZFLFPRRNQJNAA-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 35524710
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol
CID 143852097
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide
CID 110443054
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
CID 35281552
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180
2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide
CID 3817281
2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
CID 15156845

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide (CID 17173901) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide?
The InChIKey is TZFLFPRRNQJNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-14(2,3)11-7-12(18-20-11)17-13(19)9-5-4-8(15)6-10(9)16/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide has a molecular weight of 313.18 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide is sourced from PubChem (CID 17173901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).