N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide

C20H21ClN4O2 — CID 120835013

IUPACN-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
SMILESCc1ccc(C(N)c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C20H21ClN4O2/c1-12-7-9-13(10-8-12)16(22)18-23-19(25-27-18)20(2,3)24-17(26)14-5-4-6-15(21)11-14/h4-11,16H,22H2,1-3H3,(H,24,26)
InChIKeyYSWNRYYDIQCWST-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide

N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide (PubChem CID 120835013) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
PubChem CID120835013
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
SMILESCc1ccc(C(N)c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C20H21ClN4O2/c1-12-7-9-13(10-8-12)16(22)18-23-19(25-27-18)20(2,3)24-17(26)14-5-4-6-15(21)11-14/h4-11,16H,22H2,1-3H3,(H,24,26)
InChIKeyYSWNRYYDIQCWST-UHFFFAOYSA-N
XLogP3.74
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 146088960
N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 128995742
3-chloro-N-[2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834963
3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834977
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
CID 51099069
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050832
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
CID 56547306
3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050839
N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
CID 39347226
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The IUPAC name of N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide (CID 120835013) is N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide is Cc1ccc(C(N)c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The InChIKey is YSWNRYYDIQCWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12-7-9-13(10-8-12)16(22)18-23-19(25-27-18)20(2,3)24-17(26)14-5-4-6-15(21)11-14/h4-11,16H,22H2,1-3H3,(H,24,26).
What are the key properties of N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide has a molecular weight of 384.87 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide is sourced from PubChem (CID 120835013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).