2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid

C15H16N2O5 — CID 20956124

IUPAC2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C15H16N2O5/c18-13(19)9-17-11-8-10(4-5-12(11)22-15(17)21)14(20)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19)
InChIKeyACHGOXLGTOINOA-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.31
Rot. Bonds3

About 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid

2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid (PubChem CID 20956124) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid
PubChem CID20956124
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C15H16N2O5/c18-13(19)9-17-11-8-10(4-5-12(11)22-15(17)21)14(20)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19)
InChIKeyACHGOXLGTOINOA-UHFFFAOYSA-N
XLogP1.31
TPSA92.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 53006890
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 46329741
3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 82062931
3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 53067148
2-(5-carbamimidoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid;hydrochloride
CID 86675984
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 131927904
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 166406072
ethyl 1-(3-benzyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 20955907
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716081

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid (CID 20956124) is 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid is O=C(O)Cn1c(=O)oc2ccc(C(=O)N3CCCCC3)cc21.
What is the InChIKey of 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid?
The InChIKey is ACHGOXLGTOINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-13(19)9-17-11-8-10(4-5-12(11)22-15(17)21)14(20)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19).
What are the key properties of 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid?
2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid has a molecular weight of 304.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid is sourced from PubChem (CID 20956124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).