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

C19H18N4O4 — CID 89200760

IUPACbenzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate
SMILESO=Nc1cccc2oc(N3CCN(C(=O)OCc4ccccc4)CC3)nc12
InChIInChI=1S/C19H18N4O4/c24-19(26-13-14-5-2-1-3-6-14)23-11-9-22(10-12-23)18-20-17-15(21-25)7-4-8-16(17)27-18/h1-8H,9-13H2
InChIKeyXKJNEHNSJKZVNR-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.68
Rot. Bonds4

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

benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate (PubChem CID 89200760) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate
PubChem CID89200760
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Namebenzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate
SMILESO=Nc1cccc2oc(N3CCN(C(=O)OCc4ccccc4)CC3)nc12
InChIInChI=1S/C19H18N4O4/c24-19(26-13-14-5-2-1-3-6-14)23-11-9-22(10-12-23)18-20-17-15(21-25)7-4-8-16(17)27-18/h1-8H,9-13H2
InChIKeyXKJNEHNSJKZVNR-UHFFFAOYSA-N
XLogP3.68
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110642275
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(5-naphthalen-1-ylsulfonyl-1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 68863556
benzyl piperidine-1-carboxylate
CID 158057698
2,2-dimethylpropyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 11992420
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate (CID 89200760) is benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate is O=Nc1cccc2oc(N3CCN(C(=O)OCc4ccccc4)CC3)nc12.
What is the InChIKey of benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate?
The InChIKey is XKJNEHNSJKZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-19(26-13-14-5-2-1-3-6-14)23-11-9-22(10-12-23)18-20-17-15(21-25)7-4-8-16(17)27-18/h1-8H,9-13H2.
What are the key properties of benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate?
benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate has a molecular weight of 366.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 89200760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).