2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide

C16H17N5O2 — CID 36723061

IUPAC2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)oc(C)c2C)ccc1-n1cnnn1
InChIInChI=1S/C16H17N5O2/c1-9-7-13(5-6-14(9)21-8-17-19-20-21)18-16(22)15-10(2)11(3)23-12(15)4/h5-8H,1-4H3,(H,18,22)
InChIKeyYHCVMTUIVUYMNG-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.74
Rot. Bonds3

About 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide

2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide (PubChem CID 36723061) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
PubChem CID36723061
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)oc(C)c2C)ccc1-n1cnnn1
InChIInChI=1S/C16H17N5O2/c1-9-7-13(5-6-14(9)21-8-17-19-20-21)18-16(22)15-10(2)11(3)23-12(15)4/h5-8H,1-4H3,(H,18,22)
InChIKeyYHCVMTUIVUYMNG-UHFFFAOYSA-N
XLogP2.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 46570185
N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
CID 43816610
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide (CID 36723061) is 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide is Cc1cc(NC(=O)c2c(C)oc(C)c2C)ccc1-n1cnnn1.
What is the InChIKey of 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide?
The InChIKey is YHCVMTUIVUYMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9-7-13(5-6-14(9)21-8-17-19-20-21)18-16(22)15-10(2)11(3)23-12(15)4/h5-8H,1-4H3,(H,18,22).
What are the key properties of 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide?
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 36723061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).