N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide

C20H19ClN2O3 — CID 143053139

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide
SMILESCC(C)(C)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)no1
InChIInChI=1S/C20H19ClN2O3/c1-20(2,3)17-12-18(23-26-17)25-16-10-8-15(9-11-16)22-19(24)13-4-6-14(21)7-5-13/h4-12H,1-3H3,(H,22,24)
InChIKeyAFCUYNRAELJZIT-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.67
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide (PubChem CID 143053139) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide
PubChem CID143053139
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide
SMILESCC(C)(C)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)no1
InChIInChI=1S/C20H19ClN2O3/c1-20(2,3)17-12-18(23-26-17)25-16-10-8-15(9-11-16)22-19(24)13-4-6-14(21)7-5-13/h4-12H,1-3H3,(H,22,24)
InChIKeyAFCUYNRAELJZIT-UHFFFAOYSA-N
XLogP5.67
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-ethylbenzamide
CID 143053456
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide
CID 143052936
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
CID 41111162

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide (CID 143053139) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide is CC(C)(C)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide?
The InChIKey is AFCUYNRAELJZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-20(2,3)17-12-18(23-26-17)25-16-10-8-15(9-11-16)22-19(24)13-4-6-14(21)7-5-13/h4-12H,1-3H3,(H,22,24).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide has a molecular weight of 370.84 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 143053139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).