N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

C14H22N4O3 — CID 116637804

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESO=C(CN1CCCCCC1CO)Nc1nnc(C2CC2)o1
InChIInChI=1S/C14H22N4O3/c19-9-11-4-2-1-3-7-18(11)8-12(20)15-14-17-16-13(21-14)10-5-6-10/h10-11,19H,1-9H2,(H,15,17,20)
InChIKeyUBUGJGRZNBWEKJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.12
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (PubChem CID 116637804) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
PubChem CID116637804
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESO=C(CN1CCCCCC1CO)Nc1nnc(C2CC2)o1
InChIInChI=1S/C14H22N4O3/c19-9-11-4-2-1-3-7-18(11)8-12(20)15-14-17-16-13(21-14)10-5-6-10/h10-11,19H,1-9H2,(H,15,17,20)
InChIKeyUBUGJGRZNBWEKJ-UHFFFAOYSA-N
XLogP1.12
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 115312712
2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 116637793
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 113284515
S-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] ethanethioate
CID 16949277
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79286525
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
2-(1-aminocyclohexyl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 64678016
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methoxyacetamide
CID 64591903
2-(cyclopropylamino)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 61253878
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (CID 116637804) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is O=C(CN1CCCCCC1CO)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The InChIKey is UBUGJGRZNBWEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-9-11-4-2-1-3-7-18(11)8-12(20)15-14-17-16-13(21-14)10-5-6-10/h10-11,19H,1-9H2,(H,15,17,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide has a molecular weight of 294.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is sourced from PubChem (CID 116637804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).