methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate

C14H15N3O4 — CID 110399443

IUPACmethyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc3ocnc3c2)CC1
InChIInChI=1S/C14H15N3O4/c1-20-14(19)17-6-4-16(5-7-17)13(18)10-2-3-12-11(8-10)15-9-21-12/h2-3,8-9H,4-7H2,1H3
InChIKeyBZWMOPFREIYVFY-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.35
Rot. Bonds1

About methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate

methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate (PubChem CID 110399443) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
PubChem CID110399443
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc3ocnc3c2)CC1
InChIInChI=1S/C14H15N3O4/c1-20-14(19)17-6-4-16(5-7-17)13(18)10-2-3-12-11(8-10)15-9-21-12/h2-3,8-9H,4-7H2,1H3
InChIKeyBZWMOPFREIYVFY-UHFFFAOYSA-N
XLogP1.35
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(1,3-benzoxazole-5-carbonyl)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

1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110388164
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(1,3-benzoxazol-5-yl)methanone
CID 110399436
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 110399432
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 110399395
methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110803359
N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide
CID 166319225
4-(1,3-benzoxazole-6-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813679
4-(1,3-benzoxazole-6-carbonyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813680
2-(1,3-benzoxazole-5-carbonyl)-5-methyl-4H-pyrazol-3-one
CID 131868990
methyl 4-(3-amino-4-bromobenzoyl)piperazine-1-carboxylate
CID 61139319
[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone
CID 110803826
1-(1,3-benzoxazol-5-yl)propan-1-one
CID 119084710

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate (CID 110399443) is methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2ccc3ocnc3c2)CC1.
What is the InChIKey of methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is BZWMOPFREIYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-14(19)17-6-4-16(5-7-17)13(18)10-2-3-12-11(8-10)15-9-21-12/h2-3,8-9H,4-7H2,1H3.
What are the key properties of methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110399443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).