N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C27H21N5O5 — CID 19606263

IUPACN-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc2c(c1)CC(COCc1ccccc1)O2
InChIInChI=1S/C27H21N5O5/c33-22-13-24(26-29-31-32-30-26)37-25-20(22)7-4-8-21(25)28-27(34)17-9-10-23-18(11-17)12-19(36-23)15-35-14-16-5-2-1-3-6-16/h1-11,13,19H,12,14-15H2,(H,28,34)(H,29,30,31,32)
InChIKeyQEZXEUXLGHLVQM-UHFFFAOYSA-N
MW495.50 g/mol
LogP3.75
Rot. Bonds7

About N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 19606263) has the molecular formula C27H21N5O5 and a molecular weight of 495.50 g/mol. Its IUPAC name is N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID19606263
Molecular FormulaC27H21N5O5
Molecular Weight495.50 g/mol
Exact Mass495.15
IUPAC NameN-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc2c(c1)CC(COCc1ccccc1)O2
InChIInChI=1S/C27H21N5O5/c33-22-13-24(26-29-31-32-30-26)37-25-20(22)7-4-8-21(25)28-27(34)17-9-10-23-18(11-17)12-19(36-23)15-35-14-16-5-2-1-3-6-16/h1-11,13,19H,12,14-15H2,(H,28,34)(H,29,30,31,32)
InChIKeyQEZXEUXLGHLVQM-UHFFFAOYSA-N
XLogP3.75
TPSA132.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606289
N-[6-methyl-4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide
CID 15087141
(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 126455540
N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-N-(4-phenylbutoxy)benzamide
CID 87656853
ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606364
8-[[6-chloro-2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]-4-oxochromene-2-carboxylic acid
CID 19606287
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide
CID 87344093
8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
CID 71733647
N-[6-methyl-4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-[(E)-oct-1-enoxy]benzamide
CID 67876173
8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride
CID 25007818
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 19606263) is N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc2c(c1)CC(COCc1ccccc1)O2.
What is the InChIKey of N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is QEZXEUXLGHLVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O5/c33-22-13-24(26-29-31-32-30-26)37-25-20(22)7-4-8-21(25)28-27(34)17-9-10-23-18(11-17)12-19(36-23)15-35-14-16-5-2-1-3-6-16/h1-11,13,19H,12,14-15H2,(H,28,34)(H,29,30,31,32).
What are the key properties of N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 495.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 19606263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).