4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

C19H26N4O3 — CID 75527445

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14-18(15(2)26-21-14)13-22-8-10-23(11-9-22)19(24)20-12-16-4-6-17(25-3)7-5-16/h4-7H,8-13H2,1-3H3,(H,20,24)
InChIKeyLCBZSOWKIXBKMB-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.33
Rot. Bonds5

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 75527445) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID75527445
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14-18(15(2)26-21-14)13-22-8-10-23(11-9-22)19(24)20-12-16-4-6-17(25-3)7-5-16/h4-7H,8-13H2,1-3H3,(H,20,24)
InChIKeyLCBZSOWKIXBKMB-UHFFFAOYSA-N
XLogP2.33
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3341231
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 75527445) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LCBZSOWKIXBKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-18(15(2)26-21-14)13-22-8-10-23(11-9-22)19(24)20-12-16-4-6-17(25-3)7-5-16/h4-7H,8-13H2,1-3H3,(H,20,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 75527445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).