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

C18H24N4O3 — CID 38218015

IUPACN-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C18H24N4O3/c1-14-11-16(20-25-14)13-21-7-9-22(10-8-21)18(23)19-12-15-5-3-4-6-17(15)24-2/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,23)
InChIKeyOYVPNEHDWXBRCT-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.02
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 38218015) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID38218015
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C18H24N4O3/c1-14-11-16(20-25-14)13-21-7-9-22(10-8-21)18(23)19-12-15-5-3-4-6-17(15)24-2/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,23)
InChIKeyOYVPNEHDWXBRCT-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (CID 38218015) is N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is COc1ccccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is OYVPNEHDWXBRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-11-16(20-25-14)13-21-7-9-22(10-8-21)18(23)19-12-15-5-3-4-6-17(15)24-2/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 38218015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).