N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide

C16H20N4O2 — CID 118780297

IUPACN-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1nncn1CCc1ccccc1)C1CCOC1
InChIInChI=1S/C16H20N4O2/c21-16(14-7-9-22-11-14)17-10-15-19-18-12-20(15)8-6-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,21)
InChIKeyBDEPFZGHKCMYNW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.17
Rot. Bonds6

About N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide

N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide (PubChem CID 118780297) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
PubChem CID118780297
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1nncn1CCc1ccccc1)C1CCOC1
InChIInChI=1S/C16H20N4O2/c21-16(14-7-9-22-11-14)17-10-15-19-18-12-20(15)8-6-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,21)
InChIKeyBDEPFZGHKCMYNW-UHFFFAOYSA-N
XLogP1.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 124679845
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155938046
1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 131899744
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
CID 91767891
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 99974084
6,6-dimethyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]thiomorpholine-3-carboxamide
CID 131909667
(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 118772148
(4S)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96575038
4,4,4-trifluoro-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]butanamide
CID 118775336
1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
CID 131924675

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide (CID 118780297) is N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide is O=C(NCc1nncn1CCc1ccccc1)C1CCOC1.
What is the InChIKey of N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide?
The InChIKey is BDEPFZGHKCMYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(14-7-9-22-11-14)17-10-15-19-18-12-20(15)8-6-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,21).
What are the key properties of N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide?
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 118780297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).