N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide

C14H17N3O2 — CID 66182098

IUPACN-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1noc2ccccc12)C1CNC1
InChIInChI=1S/C14H17N3O2/c1-2-17(10-8-15-9-10)14(18)7-12-11-5-3-4-6-13(11)19-16-12/h3-6,10,15H,2,7-9H2,1H3
InChIKeySSKFCGWJZUXKKV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.19
Rot. Bonds4

About N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide

N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide (PubChem CID 66182098) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
PubChem CID66182098
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1noc2ccccc12)C1CNC1
InChIInChI=1S/C14H17N3O2/c1-2-17(10-8-15-9-10)14(18)7-12-11-5-3-4-6-13(11)19-16-12/h3-6,10,15H,2,7-9H2,1H3
InChIKeySSKFCGWJZUXKKV-UHFFFAOYSA-N
XLogP1.19
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63300924
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
CID 38283022
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 79113125
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 119203511
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984768
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-butan-2-ylamino]acetic acid
CID 60828052
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide (CID 66182098) is N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide is CCN(C(=O)Cc1noc2ccccc12)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide?
The InChIKey is SSKFCGWJZUXKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-17(10-8-15-9-10)14(18)7-12-11-5-3-4-6-13(11)19-16-12/h3-6,10,15H,2,7-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide?
N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 66182098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).