2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide

C14H17ClN4O2 — CID 47027537

IUPAC2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESCC(C)c1noc(C(C)Nc2ccc(Cl)c(C(N)=O)c2)n1
InChIInChI=1S/C14H17ClN4O2/c1-7(2)13-18-14(21-19-13)8(3)17-9-4-5-11(15)10(6-9)12(16)20/h4-8,17H,1-3H3,(H2,16,20)
InChIKeyJOXVJZWJRKXYBF-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.12
Rot. Bonds5

About 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide

2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide (PubChem CID 47027537) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
PubChem CID47027537
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESCC(C)c1noc(C(C)Nc2ccc(Cl)c(C(N)=O)c2)n1
InChIInChI=1S/C14H17ClN4O2/c1-7(2)13-18-14(21-19-13)8(3)17-9-4-5-11(15)10(6-9)12(16)20/h4-8,17H,1-3H3,(H2,16,20)
InChIKeyJOXVJZWJRKXYBF-UHFFFAOYSA-N
XLogP3.12
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735150
N-(2-aminophenyl)-4-[[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735155
5-(acetylamino)-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 50959090
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
CID 53534289
N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(5-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 118986164
3-[1-(3-Propyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 45808014
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 47066555
2-[(3-Propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 47312708
[4-Chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 72018739
2-Chloro-N-(2-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-YL}ethyl)benzamide
CID 83283236
2-chloro-N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzamide
CID 59643533
4-chloro-N-[[3-[4-[3-(dimethylamino)propyl-ethylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide
CID 143081310

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The IUPAC name of 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide (CID 47027537) is 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide is CC(C)c1noc(C(C)Nc2ccc(Cl)c(C(N)=O)c2)n1.
What is the InChIKey of 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The InChIKey is JOXVJZWJRKXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-7(2)13-18-14(21-19-13)8(3)17-9-4-5-11(15)10(6-9)12(16)20/h4-8,17H,1-3H3,(H2,16,20).
What are the key properties of 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide has a molecular weight of 308.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 47027537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).