2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide

C22H22N6O2 — CID 175643451

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCC(n2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H22N6O2/c29-21(14-19-18-8-4-5-9-20(18)30-26-19)23-16-10-12-17(13-11-16)28-25-22(24-27-28)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,23,29)
InChIKeyWAPKYIKWGTWOOM-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.32
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide (PubChem CID 175643451) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
PubChem CID175643451
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCC(n2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H22N6O2/c29-21(14-19-18-8-4-5-9-20(18)30-26-19)23-16-10-12-17(13-11-16)28-25-22(24-27-28)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,23,29)
InChIKeyWAPKYIKWGTWOOM-UHFFFAOYSA-N
XLogP3.32
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[4-(1,2,4-triazol-1-yl)cyclohexyl]acetamide
CID 175642643
2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
CID 175641641
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710
2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91817855
2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole
CID 175641941
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
2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 51092558
2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 91837332
2-(1,2-benzoxazol-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91797497
2-[4-(1,2-benzoxazol-3-ylmethylsulfonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 99819838

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide (CID 175643451) is 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide is O=C(Cc1noc2ccccc12)NC1CCC(n2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
The InChIKey is WAPKYIKWGTWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-21(14-19-18-8-4-5-9-20(18)30-26-19)23-16-10-12-17(13-11-16)28-25-22(24-27-28)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,23,29).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide has a molecular weight of 402.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 175643451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).