N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

C18H20N4O3 — CID 111481565

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccc(-n3cncn3)c(C)c2)o1
InChIInChI=1S/C18H20N4O3/c1-12-8-14(5-6-15(12)22-11-19-10-21-22)17(23)20-9-18(3,24)16-7-4-13(2)25-16/h4-8,10-11,24H,9H2,1-3H3,(H,20,23)
InChIKeyRIAXOAGIOSIKSC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.11
Rot. Bonds5

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 111481565) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID111481565
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccc(-n3cncn3)c(C)c2)o1
InChIInChI=1S/C18H20N4O3/c1-12-8-14(5-6-15(12)22-11-19-10-21-22)17(23)20-9-18(3,24)16-7-4-13(2)25-16/h4-8,10-11,24H,9H2,1-3H3,(H,20,23)
InChIKeyRIAXOAGIOSIKSC-UHFFFAOYSA-N
XLogP2.11
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methoxy-4-methylbenzamide
CID 111481052
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
CID 111481472
3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 136566196
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998642
3-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119221375
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111481180
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71991149
1-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119176697

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 111481565) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is Cc1ccc(C(C)(O)CNC(=O)c2ccc(-n3cncn3)c(C)c2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is RIAXOAGIOSIKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-8-14(5-6-15(12)22-11-19-10-21-22)17(23)20-9-18(3,24)16-7-4-13(2)25-16/h4-8,10-11,24H,9H2,1-3H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 111481565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).