2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C16H27N5O3 — CID 71928117

IUPAC2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCc1nc(C2CN(C(C)C(=O)NCC3CCCO3)CCO2)n[nH]1
InChIInChI=1S/C16H27N5O3/c1-3-14-18-15(20-19-14)13-10-21(6-8-24-13)11(2)16(22)17-9-12-5-4-7-23-12/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyXBCUIFDBEFGTFN-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.42
Rot. Bonds6

About 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 71928117) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID71928117
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCc1nc(C2CN(C(C)C(=O)NCC3CCCO3)CCO2)n[nH]1
InChIInChI=1S/C16H27N5O3/c1-3-14-18-15(20-19-14)13-10-21(6-8-24-13)11(2)16(22)17-9-12-5-4-7-23-12/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyXBCUIFDBEFGTFN-UHFFFAOYSA-N
XLogP0.42
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 98791286
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 100870601
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95350961
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95758684
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 42934909
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine
CID 71928126
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1S)-1-(2-fluorophenyl)ethyl]morpholine
CID 96996960
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 71928117) is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is CCc1nc(C2CN(C(C)C(=O)NCC3CCCO3)CCO2)n[nH]1.
What is the InChIKey of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is XBCUIFDBEFGTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-3-14-18-15(20-19-14)13-10-21(6-8-24-13)11(2)16(22)17-9-12-5-4-7-23-12/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 71928117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).