(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide

C16H20N4O2 — CID 129399614

IUPAC(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
SMILESC[C@H]1OCCC[C@H]1C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-12-14(8-5-9-22-12)16(21)17-10-15-19-18-11-20(15)13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3,(H,17,21)/t12-,14-/m1/s1
InChIKeyVMBJJOQEXLXHSM-TZMCWYRMSA-N
MW300.36 g/mol
LogP1.70
Rot. Bonds4

About (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide

(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide (PubChem CID 129399614) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
PubChem CID129399614
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
SMILESC[C@H]1OCCC[C@H]1C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-12-14(8-5-9-22-12)16(21)17-10-15-19-18-11-20(15)13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3,(H,17,21)/t12-,14-/m1/s1
InChIKeyVMBJJOQEXLXHSM-TZMCWYRMSA-N
XLogP1.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94148320
(2S,4S)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 120622970
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103
(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 95285314
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 119291922
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119291921
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119291914
(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 129399470
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 111722316
3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
CID 115393361
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
The IUPAC name of (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide (CID 129399614) is (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide is C[C@H]1OCCC[C@H]1C(=O)NCc1nncn1-c1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
The InChIKey is VMBJJOQEXLXHSM-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-14(8-5-9-22-12)16(21)17-10-15-19-18-11-20(15)13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3,(H,17,21)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 129399614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).