N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide

C14H13N5O2 — CID 2939128

IUPACN-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C14H13N5O2/c20-13(15-9-12-7-4-8-21-12)10-19-17-14(16-18-19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20)
InChIKeyVXZKKOLWACVYAC-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.25
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 2939128) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID2939128
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C14H13N5O2/c20-13(15-9-12-7-4-8-21-12)10-19-17-14(16-18-19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20)
InChIKeyVXZKKOLWACVYAC-UHFFFAOYSA-N
XLogP1.25
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-5-(2-furyl)-1H-tetrazole
CID 763759
2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
Furan-2-carboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 649082
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
N-tert-Butyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 651396
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
2-[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 715379
2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 863227
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440069
ethyl 5-({[(5-phenyl-2H-tetrazol-2-yl)acetyl]amino}methyl)-2-furoate
CID 1506374

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 2939128) is N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is VXZKKOLWACVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-13(15-9-12-7-4-8-21-12)10-19-17-14(16-18-19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 283.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 2939128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).