4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

C20H22N4O3 — CID 52999881

IUPAC4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22N4O3/c1-26-16-8-6-15(7-9-16)21-20(25)24-12-10-23(11-13-24)14-19-22-17-4-2-3-5-18(17)27-19/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyLJAQZZFXDSQJII-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.19
Rot. Bonds4

About 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 52999881) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID52999881
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22N4O3/c1-26-16-8-6-15(7-9-16)21-20(25)24-12-10-23(11-13-24)14-19-22-17-4-2-3-5-18(17)27-19/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyLJAQZZFXDSQJII-UHFFFAOYSA-N
XLogP3.19
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53085289
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 53078506
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 154773809
N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831420
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617
N-(4-fluorophenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl]piperazine-1-carboxamide
CID 20955791

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 52999881) is 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LJAQZZFXDSQJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-16-8-6-15(7-9-16)21-20(25)24-12-10-23(11-13-24)14-19-22-17-4-2-3-5-18(17)27-19/h2-9H,10-14H2,1H3,(H,21,25).
What are the key properties of 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 52999881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).