N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide

C21H17N5O4 — CID 656033

IUPACN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C21H17N5O4/c1-29-15-10-8-14(9-11-15)18(27)13-26-24-20(23-25-26)16-5-2-3-6-17(16)22-21(28)19-7-4-12-30-19/h2-12H,13H2,1H3,(H,22,28)
InChIKeyXBUZPCJNKXXPQV-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.08
Rot. Bonds7

About N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide

N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 656033) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID656033
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC NameN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C21H17N5O4/c1-29-15-10-8-14(9-11-15)18(27)13-26-24-20(23-25-26)16-5-2-3-6-17(16)22-21(28)19-7-4-12-30-19/h2-12H,13H2,1H3,(H,22,28)
InChIKeyXBUZPCJNKXXPQV-UHFFFAOYSA-N
XLogP3.08
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
Furan-2-carboxylic acid [2-(2-phenylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 648033
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
Furan-2-carboxylic acid (2-{2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651026
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide
CID 653728
Furan-2-carboxylic acid (2-{2-[(2-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 654743
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440069
N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide
CID 1440110
N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
CID 1440115
N-[4-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-2-methoxy-benzamide
CID 1452563
Cyclohexanecarboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 1463733

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (CID 656033) is N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is XBUZPCJNKXXPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c1-29-15-10-8-14(9-11-15)18(27)13-26-24-20(23-25-26)16-5-2-3-6-17(16)22-21(28)19-7-4-12-30-19/h2-12H,13H2,1H3,(H,22,28).
What are the key properties of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 656033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).