N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide

C19H27N5O3 — CID 169215787

IUPACN-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(CC(=O)Nc2noc3ccccc23)CC1
InChIInChI=1S/C19H27N5O3/c1-19(2,3)21-17(26)13-24-10-8-23(9-11-24)12-16(25)20-18-14-6-4-5-7-15(14)27-22-18/h4-7H,8-13H2,1-3H3,(H,21,26)(H,20,22,25)
InChIKeyLACQCERHNAIMGM-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.30
Rot. Bonds5

About N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 169215787) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID169215787
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(CC(=O)Nc2noc3ccccc23)CC1
InChIInChI=1S/C19H27N5O3/c1-19(2,3)21-17(26)13-24-10-8-23(9-11-24)12-16(25)20-18-14-6-4-5-7-15(14)27-22-18/h4-7H,8-13H2,1-3H3,(H,21,26)(H,20,22,25)
InChIKeyLACQCERHNAIMGM-UHFFFAOYSA-N
XLogP1.30
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-[3-[3-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-1-[[3-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-1,2-benzoxazol-4-yl]methyl]indazol-5-yl]-1-methylpyrazol-5-yl]acetamide
CID 169215670
N-tert-butyl-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 9131317
ethyl 3-[[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 9131219
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716
N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
CID 68724237
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
CID 68777853
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134029509
benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate
CID 68780053
N-tert-butyl-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 36617338
N-tert-butyl-2-[4-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]acetamide
CID 30150936

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 169215787) is N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(CC(=O)Nc2noc3ccccc23)CC1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is LACQCERHNAIMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-19(2,3)21-17(26)13-24-10-8-23(9-11-24)12-16(25)20-18-14-6-4-5-7-15(14)27-22-18/h4-7H,8-13H2,1-3H3,(H,21,26)(H,20,22,25).
What are the key properties of N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 169215787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).