4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide

C16H21ClN4O2 — CID 47064204

IUPAC4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(Cl)cc1NCc1nc(CC(C)C)no1
InChIInChI=1S/C16H21ClN4O2/c1-4-18-16(22)12-6-5-11(17)8-13(12)19-9-15-20-14(21-23-15)7-10(2)3/h5-6,8,10,19H,4,7,9H2,1-3H3,(H,18,22)
InChIKeyTWJIJNIFSCESOB-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.28
Rot. Bonds7

About 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide

4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 47064204) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID47064204
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(Cl)cc1NCc1nc(CC(C)C)no1
InChIInChI=1S/C16H21ClN4O2/c1-4-18-16(22)12-6-5-11(17)8-13(12)19-9-15-20-14(21-23-15)7-10(2)3/h5-6,8,10,19H,4,7,9H2,1-3H3,(H,18,22)
InChIKeyTWJIJNIFSCESOB-UHFFFAOYSA-N
XLogP3.28
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 134018346
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60535051
5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride
CID 120865950
4-chloro-2-fluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86919594
2-chloro-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55893231
methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate
CID 47064206
N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 111461720
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55918894
N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 111022244
3-chloro-4-ethoxy-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 154834758
5-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-propoxyaniline
CID 87029729
1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one
CID 126770423

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 47064204) is 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is CCNC(=O)c1ccc(Cl)cc1NCc1nc(CC(C)C)no1.
What is the InChIKey of 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is TWJIJNIFSCESOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-4-18-16(22)12-6-5-11(17)8-13(12)19-9-15-20-14(21-23-15)7-10(2)3/h5-6,8,10,19H,4,7,9H2,1-3H3,(H,18,22).
What are the key properties of 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 336.82 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 47064204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).