N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

C19H20N4O2S — CID 56912083

IUPACN-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nn1)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C19H20N4O2S/c24-19(18-13-23(21-20-18)16-5-2-1-3-6-16)22(11-15-8-10-26-14-15)12-17-7-4-9-25-17/h1-3,5-6,8,10,13-14,17H,4,7,9,11-12H2
InChIKeyOCJOLILELOYWOF-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.15
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (PubChem CID 56912083) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
PubChem CID56912083
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nn1)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C19H20N4O2S/c24-19(18-13-23(21-20-18)16-5-2-1-3-6-16)22(11-15-8-10-26-14-15)12-17-7-4-9-25-17/h1-3,5-6,8,10,13-14,17H,4,7,9,11-12H2
InChIKeyOCJOLILELOYWOF-UHFFFAOYSA-N
XLogP3.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
CID 99940406
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 97186747
1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 134046136
6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472
2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 131909854
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 99930542
3-[[1-(2-chlorophenyl)triazole-4-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153627
1,3-dimethyl-2,6-dioxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrimidine-4-carboxamide
CID 72921658
3-(1-methyltetrazol-5-yl)sulfanyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 46986614
1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 72915595
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119759142

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (CID 56912083) is N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is O=C(c1cn(-c2ccccc2)nn1)N(Cc1ccsc1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is OCJOLILELOYWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(18-13-23(21-20-18)16-5-2-1-3-6-16)22(11-15-8-10-26-14-15)12-17-7-4-9-25-17/h1-3,5-6,8,10,13-14,17H,4,7,9,11-12H2.
What are the key properties of N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56912083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).