4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide

C20H18N6O3 — CID 34548815

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H18N6O3/c1-13-19(14(2)29-23-13)11-28-18-8-6-15(7-9-18)20(27)22-16-4-3-5-17(10-16)26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,22,27)
InChIKeyIWDOOYDZBJERAL-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.10
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 34548815) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID34548815
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H18N6O3/c1-13-19(14(2)29-23-13)11-28-18-8-6-15(7-9-18)20(27)22-16-4-3-5-17(10-16)26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,22,27)
InChIKeyIWDOOYDZBJERAL-UHFFFAOYSA-N
XLogP3.10
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55813794
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 9209133
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 7965685
4-[[(2S)-oxolan-2-yl]methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8895411
methyl 3-[2-[3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]ethynyl]benzoate
CID 43049325
N-tert-butyl-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 46539748
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 2450679
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8007252
3-phenylmethoxy-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 146021794

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 34548815) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is IWDOOYDZBJERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-13-19(14(2)29-23-13)11-28-18-8-6-15(7-9-18)20(27)22-16-4-3-5-17(10-16)26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,22,27).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 390.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 34548815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).