N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide

C15H14N4O2 — CID 154770904

IUPACN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C15H14N4O2/c20-13(9-8-11-5-2-1-3-6-11)16-15-17-14(18-19-15)12-7-4-10-21-12/h1-7,10H,8-9H2,(H2,16,17,18,19,20)
InChIKeyBTQMDOPYSAMNBC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.64
Rot. Bonds5

About N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide

N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide (PubChem CID 154770904) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide
PubChem CID154770904
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C15H14N4O2/c20-13(9-8-11-5-2-1-3-6-11)16-15-17-14(18-19-15)12-7-4-10-21-12/h1-7,10H,8-9H2,(H2,16,17,18,19,20)
InChIKeyBTQMDOPYSAMNBC-UHFFFAOYSA-N
XLogP2.64
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 154770900
(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide
CID 124879707
3-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762316
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 131024964
3-benzylsulfanyl-5-(furan-2-yl)-1H-1,2,4-triazole
CID 735682
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154770191
N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17233679
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9246371
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-yl)propanamide
CID 51092030
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide
CID 74797561

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide (CID 154770904) is N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1n[nH]c(-c2ccco2)n1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide?
The InChIKey is BTQMDOPYSAMNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-13(9-8-11-5-2-1-3-6-11)16-15-17-14(18-19-15)12-7-4-10-21-12/h1-7,10H,8-9H2,(H2,16,17,18,19,20).
What are the key properties of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide?
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide has a molecular weight of 282.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 154770904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).