N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide

C18H20N6O3 — CID 154784542

IUPACN-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cc1noc(C2CCCc3n[nH]nc32)n1
InChIInChI=1S/C18H20N6O3/c1-2-26-14-9-4-3-7-12(14)19-16(25)10-15-20-18(27-23-15)11-6-5-8-13-17(11)22-24-21-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,19,25)(H,21,22,24)
InChIKeyOUJNKBIKDXTTFX-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.24
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide

N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 154784542) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID154784542
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cc1noc(C2CCCc3n[nH]nc32)n1
InChIInChI=1S/C18H20N6O3/c1-2-26-14-9-4-3-7-12(14)19-16(25)10-15-20-18(27-23-15)11-6-5-8-13-17(11)22-24-21-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,19,25)(H,21,22,24)
InChIKeyOUJNKBIKDXTTFX-UHFFFAOYSA-N
XLogP2.24
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117
N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120835126
2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835109
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835113
2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide
CID 126816204
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617314
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
N-(2-ethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109009181
2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 30008699
N-(2-ethoxyphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509106
N-(2-ethoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide (CID 154784542) is N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide is CCOc1ccccc1NC(=O)Cc1noc(C2CCCc3n[nH]nc32)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is OUJNKBIKDXTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-2-26-14-9-4-3-7-12(14)19-16(25)10-15-20-18(27-23-15)11-6-5-8-13-17(11)22-24-21-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,19,25)(H,21,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide?
N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 154784542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).