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

C20H17N5O3 — CID 55564411

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2occc2COc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C20H17N5O3/c1-14-11-16(7-8-18(14)25-13-21-23-24-25)22-20(26)19-15(9-10-27-19)12-28-17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyMKOGIPBKVHXTMI-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.40
Rot. Bonds6

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

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 55564411) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID55564411
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2occc2COc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C20H17N5O3/c1-14-11-16(7-8-18(14)25-13-21-23-24-25)22-20(26)19-15(9-10-27-19)12-28-17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyMKOGIPBKVHXTMI-UHFFFAOYSA-N
XLogP3.40
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 36722972
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
CID 55750582
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55618154
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 55564411) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide is Cc1cc(NC(=O)c2occc2COc2ccccc2)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is MKOGIPBKVHXTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-14-11-16(7-8-18(14)25-13-21-23-24-25)22-20(26)19-15(9-10-27-19)12-28-17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,22,26).
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 55564411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).