[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate

C26H32N4O5 — CID 66598742

IUPAC[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate
SMILESCC(C)(C)c1ccc(CNC(=O)ON2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)20-7-4-18(5-8-20)17-27-24(32)35-30-14-12-29(13-15-30)11-10-22(31)19-6-9-21-23(16-19)34-25(33)28-21/h4-9,16H,10-15,17H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyKWYQLDDOOQQXHG-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.45
Rot. Bonds7

About [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate

[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate (PubChem CID 66598742) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate.

Molecular Properties

Compound Name[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate
PubChem CID66598742
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate
SMILESCC(C)(C)c1ccc(CNC(=O)ON2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)20-7-4-18(5-8-20)17-27-24(32)35-30-14-12-29(13-15-30)11-10-22(31)19-6-9-21-23(16-19)34-25(33)28-21/h4-9,16H,10-15,17H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyKWYQLDDOOQQXHG-UHFFFAOYSA-N
XLogP3.45
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-3-(4-methylphenyl)-1-oxo-1-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]propan-2-yl]carbamate
CID 71020906
(3,4-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
CID 25265309
(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate;hydrochloride
CID 78357775
2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
CID 91135102
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
(2-oxo-3H-1,3-benzoxazol-6-yl) 4-tert-butylbenzoate
CID 130411398
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
(4-methylphenyl)methyl 4-[3-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-3-oxopropyl]piperazine-1-carboxylate
CID 143787146
6-[3-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
CID 66598419
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
6-[3-[4-(5-chloro-1-methylindole-2-carbonyl)piperazin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
CID 59474110
6-[2-(4-benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 53387984

Frequently Asked Questions

What is the IUPAC name of [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate?
The IUPAC name of [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate (CID 66598742) is [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate.
What is the SMILES notation for [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate?
The canonical SMILES for [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate is CC(C)(C)c1ccc(CNC(=O)ON2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1.
What is the InChIKey of [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate?
The InChIKey is KWYQLDDOOQQXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-26(2,3)20-7-4-18(5-8-20)17-27-24(32)35-30-14-12-29(13-15-30)11-10-22(31)19-6-9-21-23(16-19)34-25(33)28-21/h4-9,16H,10-15,17H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate?
[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate has a molecular weight of 480.57 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl] N-[(4-tert-butylphenyl)methyl]carbamate is sourced from PubChem (CID 66598742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).