(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid

C15H15N3O5 — CID 125120608

IUPAC(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid
SMILESCc1noc(-c2ccccc2C(=O)N2CCO[C@H](C(=O)O)C2)n1
InChIInChI=1S/C15H15N3O5/c1-9-16-13(23-17-9)10-4-2-3-5-11(10)14(19)18-6-7-22-12(8-18)15(20)21/h2-5,12H,6-8H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNBFKVUYEQKPBGO-LBPRGKRZSA-N
MW317.30 g/mol
LogP0.97
Rot. Bonds3

About (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid

(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 125120608) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid
PubChem CID125120608
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid
SMILESCc1noc(-c2ccccc2C(=O)N2CCO[C@H](C(=O)O)C2)n1
InChIInChI=1S/C15H15N3O5/c1-9-16-13(23-17-9)10-4-2-3-5-11(10)14(19)18-6-7-22-12(8-18)15(20)21/h2-5,12H,6-8H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNBFKVUYEQKPBGO-LBPRGKRZSA-N
XLogP0.97
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 129483703
(3-hydroxypiperidin-1-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 111462892
6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175001
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116349
2-[(2R)-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125151527
tert-butyl (1S,6R)-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 131732983
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 3445328
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid (CID 125120608) is (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid is Cc1noc(-c2ccccc2C(=O)N2CCO[C@H](C(=O)O)C2)n1.
What is the InChIKey of (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is NBFKVUYEQKPBGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-9-16-13(23-17-9)10-4-2-3-5-11(10)14(19)18-6-7-22-12(8-18)15(20)21/h2-5,12H,6-8H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid?
(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125120608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).