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

C18H24N4O3 — CID 47082324

IUPAC4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCOc1ccc(CCN2CCN(C(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-14-13-17(20-25-14)19-18(23)22-11-9-21(10-12-22)8-7-15-3-5-16(24-2)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,19,20,23)
InChIKeyGQPFCQLXLHOCSM-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.38
Rot. Bonds5

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

4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 47082324) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID47082324
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCOc1ccc(CCN2CCN(C(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-14-13-17(20-25-14)19-18(23)22-11-9-21(10-12-22)8-7-15-3-5-16(24-2)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,19,20,23)
InChIKeyGQPFCQLXLHOCSM-UHFFFAOYSA-N
XLogP2.38
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methoxyphenyl)ethyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113109503
4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 18144051
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
1-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 30940077
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
(2S)-2-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 27284466
1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113074361
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]propan-1-one
CID 110645900

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 47082324) is 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is COc1ccc(CCN2CCN(C(=O)Nc3cc(C)on3)CC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is GQPFCQLXLHOCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-13-17(20-25-14)19-18(23)22-11-9-21(10-12-22)8-7-15-3-5-16(24-2)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,19,20,23).
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47082324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).