2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide

C17H21N3O3 — CID 71935457

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCC(=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3/c21-16(10-14-13-8-4-5-9-15(13)23-20-14)18-11-17(22)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,22)
InChIKeyQCIFEQOFUUIZIS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.94
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide (PubChem CID 71935457) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
PubChem CID71935457
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCC(=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3/c21-16(10-14-13-8-4-5-9-15(13)23-20-14)18-11-17(22)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,22)
InChIKeyQCIFEQOFUUIZIS-UHFFFAOYSA-N
XLogP1.94
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
2-(1,2-benzoxazol-3-yl)-N-[4-(1,2,4-triazol-1-yl)cyclohexyl]acetamide
CID 175642643
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91817855
N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108791964
N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
CID 52851447
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
(2S)-2-[[2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694728
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
2-(1,2-benzoxazol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 154569542
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide (CID 71935457) is 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide is O=C(Cc1noc2ccccc12)NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The InChIKey is QCIFEQOFUUIZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(10-14-13-8-4-5-9-15(13)23-20-14)18-11-17(22)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 71935457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).