N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide

C14H14Cl2N4O2 — CID 133441833

IUPACN-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide
SMILESO=C(CNc1nc(-c2cc(Cl)cc(Cl)c2)no1)NCC1CC1
InChIInChI=1S/C14H14Cl2N4O2/c15-10-3-9(4-11(16)5-10)13-19-14(22-20-13)18-7-12(21)17-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,17,21)(H,18,19,20)
InChIKeyFWIGWCOTZYQVRY-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.98
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide

N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide (PubChem CID 133441833) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide
PubChem CID133441833
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC NameN-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide
SMILESO=C(CNc1nc(-c2cc(Cl)cc(Cl)c2)no1)NCC1CC1
InChIInChI=1S/C14H14Cl2N4O2/c15-10-3-9(4-11(16)5-10)13-19-14(22-20-13)18-7-12(21)17-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,17,21)(H,18,19,20)
InChIKeyFWIGWCOTZYQVRY-UHFFFAOYSA-N
XLogP2.98
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide (CID 133441833) is N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide is O=C(CNc1nc(-c2cc(Cl)cc(Cl)c2)no1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide?
The InChIKey is FWIGWCOTZYQVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-10-3-9(4-11(16)5-10)13-19-14(22-20-13)18-7-12(21)17-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,17,21)(H,18,19,20).
What are the key properties of N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide?
N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide has a molecular weight of 341.20 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 133441833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).