2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide

C18H16N2O2 — CID 86843710

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CC1c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-18(11-16-13-8-4-5-9-17(13)22-20-16)19-15-10-14(15)12-6-2-1-3-7-12/h1-9,14-15H,10-11H2,(H,19,21)
InChIKeyKUFMQFXFYYPIAD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.04
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide (PubChem CID 86843710) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
PubChem CID86843710
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CC1c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-18(11-16-13-8-4-5-9-17(13)22-20-16)19-15-10-14(15)12-6-2-1-3-7-12/h1-9,14-15H,10-11H2,(H,19,21)
InChIKeyKUFMQFXFYYPIAD-UHFFFAOYSA-N
XLogP3.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221426
2-(1,2-benzoxazol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 154569542
(2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide
CID 126805231
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 133260546
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 25122234
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 163318902
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide (CID 86843710) is 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide is O=C(Cc1noc2ccccc12)NC1CC1c1ccccc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide?
The InChIKey is KUFMQFXFYYPIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(11-16-13-8-4-5-9-17(13)22-20-16)19-15-10-14(15)12-6-2-1-3-7-12/h1-9,14-15H,10-11H2,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide is sourced from PubChem (CID 86843710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).