4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one

C16H27N5O3 — CID 95227803

IUPAC4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c([C@H]2CCCN(C(=O)CCN3CCCO3)C2)nn(C)c1=O
InChIInChI=1S/C16H27N5O3/c1-3-21-15(17-18(2)16(21)23)13-6-4-8-19(12-13)14(22)7-10-20-9-5-11-24-20/h13H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyHZADLMPKXBEKRF-ZDUSSCGKSA-N
MW337.42 g/mol
LogP0.34
Rot. Bonds5

About 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one (PubChem CID 95227803) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one
PubChem CID95227803
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c([C@H]2CCCN(C(=O)CCN3CCCO3)C2)nn(C)c1=O
InChIInChI=1S/C16H27N5O3/c1-3-21-15(17-18(2)16(21)23)13-6-4-8-19(12-13)14(22)7-10-20-9-5-11-24-20/h13H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyHZADLMPKXBEKRF-ZDUSSCGKSA-N
XLogP0.34
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one (CID 95227803) is 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one is CCn1c([C@H]2CCCN(C(=O)CCN3CCCO3)C2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one?
The InChIKey is HZADLMPKXBEKRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-3-21-15(17-18(2)16(21)23)13-6-4-8-19(12-13)14(22)7-10-20-9-5-11-24-20/h13H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one has a molecular weight of 337.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[(3S)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 95227803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).