benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate

C20H20N4O4 — CID 68780053

IUPACbenzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate
SMILESO=C(Nc1noc2ccccc12)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H20N4O4/c25-19(21-18-16-8-4-5-9-17(16)28-22-18)23-10-12-24(13-11-23)20(26)27-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22,25)
InChIKeyDWYDCKYDOQOXCA-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.31
Rot. Bonds3

About benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate

benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate (PubChem CID 68780053) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate
PubChem CID68780053
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Namebenzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate
SMILESO=C(Nc1noc2ccccc12)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H20N4O4/c25-19(21-18-16-8-4-5-9-17(16)28-22-18)23-10-12-24(13-11-23)20(26)27-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22,25)
InChIKeyDWYDCKYDOQOXCA-UHFFFAOYSA-N
XLogP3.31
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
CID 68777853
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
CID 20787792
N-(1,2-benzoxazol-3-yl)-4-[[3-(2-bromophenyl)phenyl]methyl]piperazine-1-carboxamide
CID 71026665
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(cyclopentylcarbamoyl)-1,4-diazepane-1-carboxylate
CID 110811707
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568153
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate (CID 68780053) is benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate is O=C(Nc1noc2ccccc12)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is DWYDCKYDOQOXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-19(21-18-16-8-4-5-9-17(16)28-22-18)23-10-12-24(13-11-23)20(26)27-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22,25).
What are the key properties of benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate?
benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 68780053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).