benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate

C18H22N4O4 — CID 3855734

IUPACbenzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
SMILESNCCc1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)co1
InChIInChI=1S/C18H22N4O4/c19-7-6-16-20-15(13-25-16)17(23)21-8-10-22(11-9-21)18(24)26-12-14-4-2-1-3-5-14/h1-5,13H,6-12,19H2
InChIKeyPVZIDCHPYMJGOB-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.27
Rot. Bonds5

About benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate

benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate (PubChem CID 3855734) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
PubChem CID3855734
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namebenzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
SMILESNCCc1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)co1
InChIInChI=1S/C18H22N4O4/c19-7-6-16-20-15(13-25-16)17(23)21-8-10-22(11-9-21)18(24)26-12-14-4-2-1-3-5-14/h1-5,13H,6-12,19H2
InChIKeyPVZIDCHPYMJGOB-UHFFFAOYSA-N
XLogP1.27
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568153
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-[4-(2-aminoethyl)-2,6-difluorophenyl]piperazine-1-carboxylate
CID 164518048
benzyl 4-(2-iodobenzoyl)piperazine-1-carboxylate
CID 108567896
benzyl 1,3-thiazolidine-3-carboxylate
CID 139958620
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
CID 110818649

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate (CID 3855734) is benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate is NCCc1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)co1.
What is the InChIKey of benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is PVZIDCHPYMJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c19-7-6-16-20-15(13-25-16)17(23)21-8-10-22(11-9-21)18(24)26-12-14-4-2-1-3-5-14/h1-5,13H,6-12,19H2.
What are the key properties of benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate?
benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 3855734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).