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

C17H18N4O2 — CID 45246576

IUPAC5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cn2cncn2)c(-c2ccccc2)o1
InChIInChI=1S/C17H18N4O2/c1-12(9-21-11-18-10-19-21)20-17(22)15-8-13(2)23-16(15)14-6-4-3-5-7-14/h3-8,10-12H,9H2,1-2H3,(H,20,22)
InChIKeyBEBLNSBIIKMIKQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.67
Rot. Bonds5

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

5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide (PubChem CID 45246576) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
PubChem CID45246576
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cn2cncn2)c(-c2ccccc2)o1
InChIInChI=1S/C17H18N4O2/c1-12(9-21-11-18-10-19-21)20-17(22)15-8-13(2)23-16(15)14-6-4-3-5-7-14/h3-8,10-12H,9H2,1-2H3,(H,20,22)
InChIKeyBEBLNSBIIKMIKQ-UHFFFAOYSA-N
XLogP2.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 56911423
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
3-methyl-2-nitro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86992604
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86846352
2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75517595

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide (CID 45246576) is 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide is Cc1cc(C(=O)NC(C)Cn2cncn2)c(-c2ccccc2)o1.
What is the InChIKey of 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide?
The InChIKey is BEBLNSBIIKMIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(9-21-11-18-10-19-21)20-17(22)15-8-13(2)23-16(15)14-6-4-3-5-7-14/h3-8,10-12H,9H2,1-2H3,(H,20,22).
What are the key properties of 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide?
5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 45246576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).