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

C19H26N4O4 — CID 113109890

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(c3cc(C)on3)CC2)cc1OC
InChIInChI=1S/C19H26N4O4/c1-14-12-18(21-27-14)22-8-10-23(11-9-22)19(24)20-7-6-15-4-5-16(25-2)17(13-15)26-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,24)
InChIKeyKBEVGHKEGWHELU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.07
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113109890) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113109890
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(c3cc(C)on3)CC2)cc1OC
InChIInChI=1S/C19H26N4O4/c1-14-12-18(21-27-14)22-8-10-23(11-9-22)19(24)20-7-6-15-4-5-16(25-2)17(13-15)26-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,24)
InChIKeyKBEVGHKEGWHELU-UHFFFAOYSA-N
XLogP2.07
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 18144616
N-[(2-methoxyphenyl)methyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113108129
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113104896
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 38884997
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534697
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108506327

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113109890) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is COc1ccc(CCNC(=O)N2CCN(c3cc(C)on3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is KBEVGHKEGWHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-14-12-18(21-27-14)22-8-10-23(11-9-22)19(24)20-7-6-15-4-5-16(25-2)17(13-15)26-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113109890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).