4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

C20H21ClN4O3 — CID 53078506

IUPAC4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C20H21ClN4O3/c1-27-17-5-3-2-4-15(17)23-20(26)25-10-8-24(9-11-25)13-19-22-16-7-6-14(21)12-18(16)28-19/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyJYSJIHJNDHECQI-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.84
Rot. Bonds4

About 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 53078506) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID53078506
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C20H21ClN4O3/c1-27-17-5-3-2-4-15(17)23-20(26)25-10-8-24(9-11-25)13-19-22-16-7-6-14(21)12-18(16)28-19/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyJYSJIHJNDHECQI-UHFFFAOYSA-N
XLogP3.84
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53078519
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 52999925
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide
CID 142710087
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
N-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184642
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53078509
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
N-(3-chloro-2-methylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000017
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperazin-1-yl]methyl]-N,N-dimethyl-1,3-benzoxazole-5-carboxamide
CID 46383285

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (CID 53078506) is 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is JYSJIHJNDHECQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-27-17-5-3-2-4-15(17)23-20(26)25-10-8-24(9-11-25)13-19-22-16-7-6-14(21)12-18(16)28-19/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53078506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).