N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

C19H26N4O2 — CID 71998579

IUPACN-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(-n2cncn2)ccc1C(=O)NCC1CCOC1C(C)(C)C
InChIInChI=1S/C19H26N4O2/c1-13-9-15(23-12-20-11-22-23)5-6-16(13)18(24)21-10-14-7-8-25-17(14)19(2,3)4/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3,(H,21,24)
InChIKeyKJFRWYHKCKJOGK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.76
Rot. Bonds4

About N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 71998579) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID71998579
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(-n2cncn2)ccc1C(=O)NCC1CCOC1C(C)(C)C
InChIInChI=1S/C19H26N4O2/c1-13-9-15(23-12-20-11-22-23)5-6-16(13)18(24)21-10-14-7-8-25-17(14)19(2,3)4/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3,(H,21,24)
InChIKeyKJFRWYHKCKJOGK-UHFFFAOYSA-N
XLogP2.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 119237737
2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 119394617
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide
CID 128998815
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119542475
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 146088184
3-[[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]benzoic acid
CID 146087508
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 129003469
3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153935
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride
CID 119609078
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 128999502
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119625497

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 71998579) is N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(-n2cncn2)ccc1C(=O)NCC1CCOC1C(C)(C)C.
What is the InChIKey of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is KJFRWYHKCKJOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-9-15(23-12-20-11-22-23)5-6-16(13)18(24)21-10-14-7-8-25-17(14)19(2,3)4/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3,(H,21,24).
What are the key properties of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 71998579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).