N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

C15H17ClN4O3 — CID 97185478

IUPACN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCO1)Nc1n[nH]c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O3/c16-11-5-3-10(4-6-11)14-18-15(20-19-14)17-13(21)9-22-8-12-2-1-7-23-12/h3-6,12H,1-2,7-9H2,(H2,17,18,19,20,21)/t12-/m0/s1
InChIKeyGOGGJKBCHBNYAI-LBPRGKRZSA-N
MW336.78 g/mol
LogP2.26
Rot. Bonds6

About N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (PubChem CID 97185478) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
PubChem CID97185478
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCO1)Nc1n[nH]c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O3/c16-11-5-3-10(4-6-11)14-18-15(20-19-14)17-13(21)9-22-8-12-2-1-7-23-12/h3-6,12H,1-2,7-9H2,(H2,17,18,19,20,21)/t12-/m0/s1
InChIKeyGOGGJKBCHBNYAI-LBPRGKRZSA-N
XLogP2.26
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 157010923
3-(oxolan-2-ylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 87018859
N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126832557
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
5-(4-chlorophenyl)-3-(oxan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 47096485
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95616406
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide
CID 78928233
2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 166581285

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (CID 97185478) is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is O=C(COC[C@@H]1CCCO1)Nc1n[nH]c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is GOGGJKBCHBNYAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c16-11-5-3-10(4-6-11)14-18-15(20-19-14)17-13(21)9-22-8-12-2-1-7-23-12/h3-6,12H,1-2,7-9H2,(H2,17,18,19,20,21)/t12-/m0/s1.
What are the key properties of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 336.78 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 97185478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).