N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide

C20H18N6O3 — CID 94205346

IUPACN'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1-n1cnnn1
InChIInChI=1S/C20H18N6O3/c1-12-7-8-15(10-16(12)26-11-21-24-25-26)23-20(28)19(27)22-13(2)18-9-14-5-3-4-6-17(14)29-18/h3-11,13H,1-2H3,(H,22,27)(H,23,28)/t13-/m0/s1
InChIKeyQZWBGYAGXKKERB-ZDUSSCGKSA-N
MW390.40 g/mol
LogP2.53
Rot. Bonds4

About N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide

N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide (PubChem CID 94205346) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide
PubChem CID94205346
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1-n1cnnn1
InChIInChI=1S/C20H18N6O3/c1-12-7-8-15(10-16(12)26-11-21-24-25-26)23-20(28)19(27)22-13(2)18-9-14-5-3-4-6-17(14)29-18/h3-11,13H,1-2H3,(H,22,27)(H,23,28)/t13-/m0/s1
InChIKeyQZWBGYAGXKKERB-ZDUSSCGKSA-N
XLogP2.53
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597486
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597487
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911543
4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 55614160

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide?
The IUPAC name of N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide (CID 94205346) is N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide?
The canonical SMILES for N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1-n1cnnn1.
What is the InChIKey of N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide?
The InChIKey is QZWBGYAGXKKERB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-12-7-8-15(10-16(12)26-11-21-24-25-26)23-20(28)19(27)22-13(2)18-9-14-5-3-4-6-17(14)29-18/h3-11,13H,1-2H3,(H,22,27)(H,23,28)/t13-/m0/s1.
What are the key properties of N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide?
N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide has a molecular weight of 390.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]oxamide is sourced from PubChem (CID 94205346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).