methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate

C15H17N3O5 — CID 110803359

IUPACmethyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)CC1
InChIInChI=1S/C15H17N3O5/c1-16-11-9-10(3-4-12(11)23-14(16)20)13(19)17-5-7-18(8-6-17)15(21)22-2/h3-4,9H,5-8H2,1-2H3
InChIKeyXQLWARNTACGZJH-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.66
Rot. Bonds1

About methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate

methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate (PubChem CID 110803359) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
PubChem CID110803359
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Namemethyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)CC1
InChIInChI=1S/C15H17N3O5/c1-16-11-9-10(3-4-12(11)23-14(16)20)13(19)17-5-7-18(8-6-17)15(21)22-2/h3-4,9H,5-8H2,1-2H3
InChIKeyXQLWARNTACGZJH-UHFFFAOYSA-N
XLogP0.66
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110807809
3-methyl-5-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 110102911
methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110399443
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
3-methyl-6-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110804558
(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716081
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepane-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110807395
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
3-methyl-5-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 82493952
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate (CID 110803359) is methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)CC1.
What is the InChIKey of methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is XQLWARNTACGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-16-11-9-10(3-4-12(11)23-14(16)20)13(19)17-5-7-18(8-6-17)15(21)22-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate?
methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).