5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one

C10H14N6O2 — CID 46937638

IUPAC5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESCn1nnc([C@@H]2C[C@@H](c3cc(=O)[nH]o3)CCN2)n1
InChIInChI=1S/C10H14N6O2/c1-16-13-10(12-15-16)7-4-6(2-3-11-7)8-5-9(17)14-18-8/h5-7,11H,2-4H2,1H3,(H,14,17)/t6-,7-/m0/s1
InChIKeyNWBVJFSOESAVGG-BQBZGAKWSA-N
MW250.26 g/mol
LogP-0.30
Rot. Bonds2

About 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one

5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 46937638) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID46937638
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESCn1nnc([C@@H]2C[C@@H](c3cc(=O)[nH]o3)CCN2)n1
InChIInChI=1S/C10H14N6O2/c1-16-13-10(12-15-16)7-4-6(2-3-11-7)8-5-9(17)14-18-8/h5-7,11H,2-4H2,1H3,(H,14,17)/t6-,7-/m0/s1
InChIKeyNWBVJFSOESAVGG-BQBZGAKWSA-N
XLogP-0.30
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732573
5-[(2R,4R)-2-(4-methylsulfonylphenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66731817
5-(azetidin-2-yl)-1,2-oxazol-3-one
CID 143295423
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459
5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
acetic acid;5-[(2R,4S)-2-(4-chloro-3,5-difluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174656969
acetic acid;5-[(2R,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174722974
5-[(2R,4R)-2-(4-chloro-3-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732362
5-[(2S,4S)-2-(isoindol-2-ylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66978620
acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one
CID 174645063
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
CID 155895364
5-[(2S,4S)-2-[(3,5-ditert-butylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732082

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one (CID 46937638) is 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one is Cn1nnc([C@@H]2C[C@@H](c3cc(=O)[nH]o3)CCN2)n1.
What is the InChIKey of 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is NWBVJFSOESAVGG-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-16-13-10(12-15-16)7-4-6(2-3-11-7)8-5-9(17)14-18-8/h5-7,11H,2-4H2,1H3,(H,14,17)/t6-,7-/m0/s1.
What are the key properties of 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 250.26 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 46937638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).