2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide

C14H16N4O4 — CID 82062931

IUPAC2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
SMILESNC(=O)Cn1c(=O)oc2ccc(C(=O)N3CCNCC3)cc21
InChIInChI=1S/C14H16N4O4/c15-12(19)8-18-10-7-9(1-2-11(10)22-14(18)21)13(20)17-5-3-16-4-6-17/h1-2,7,16H,3-6,8H2,(H2,15,19)
InChIKeyXCEQVABNTHFFPV-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.87
Rot. Bonds3

About 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide

2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide (PubChem CID 82062931) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
PubChem CID82062931
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
SMILESNC(=O)Cn1c(=O)oc2ccc(C(=O)N3CCNCC3)cc21
InChIInChI=1S/C14H16N4O4/c15-12(19)8-18-10-7-9(1-2-11(10)22-14(18)21)13(20)17-5-3-16-4-6-17/h1-2,7,16H,3-6,8H2,(H2,15,19)
InChIKeyXCEQVABNTHFFPV-UHFFFAOYSA-N
XLogP-0.87
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid
CID 20956124
3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 39161903
N-cyclopentyl-2-[2-oxo-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 53006890
6-(1,4-diazepane-1-carbonyl)-3-methyl-1,3-benzoxazol-2-one
CID 82062962
5-(piperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 82062834
3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 53067148
3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716081
2-(5-carbamimidoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid;hydrochloride
CID 86675984
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
ethyl 1-(3-benzyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 20955907

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide?
The IUPAC name of 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide (CID 82062931) is 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide is NC(=O)Cn1c(=O)oc2ccc(C(=O)N3CCNCC3)cc21.
What is the InChIKey of 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide?
The InChIKey is XCEQVABNTHFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c15-12(19)8-18-10-7-9(1-2-11(10)22-14(18)21)13(20)17-5-3-16-4-6-17/h1-2,7,16H,3-6,8H2,(H2,15,19).
What are the key properties of 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide?
2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide has a molecular weight of 304.31 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 82062931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).