6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide

C19H21N5O2 — CID 123830213

IUPAC6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide
SMILESNC(=O)CCCC(Cc1cccc(O)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O2/c20-18(26)9-3-6-14(10-13-4-1-8-17(25)11-13)15-5-2-7-16(12-15)19-21-23-24-22-19/h1-2,4-5,7-8,11-12,14,25H,3,6,9-10H2,(H2,20,26)(H,21,22,23,24)
InChIKeyNZBBVOKBZQGTSZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.55
Rot. Bonds8

About 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide

6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide (PubChem CID 123830213) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide
PubChem CID123830213
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide
SMILESNC(=O)CCCC(Cc1cccc(O)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O2/c20-18(26)9-3-6-14(10-13-4-1-8-17(25)11-13)15-5-2-7-16(12-15)19-21-23-24-22-19/h1-2,4-5,7-8,11-12,14,25H,3,6,9-10H2,(H2,20,26)(H,21,22,23,24)
InChIKeyNZBBVOKBZQGTSZ-UHFFFAOYSA-N
XLogP2.55
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
CID 57222007
[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
CID 57211358
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 123844670
3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide
CID 123851007
[3-(2H-tetrazol-5-yl)phenyl] carbamate
CID 174326535
2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid
CID 56986254
3-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-N-thiophen-3-ylbutanamide
CID 166311795
(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 69315806
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
2-amino-4-(2H-tetrazol-5-yl)phenol
CID 135648881

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide?
The IUPAC name of 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide (CID 123830213) is 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide.
What is the SMILES notation for 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide?
The canonical SMILES for 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide is NC(=O)CCCC(Cc1cccc(O)c1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide?
The InChIKey is NZBBVOKBZQGTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-18(26)9-3-6-14(10-13-4-1-8-17(25)11-13)15-5-2-7-16(12-15)19-21-23-24-22-19/h1-2,4-5,7-8,11-12,14,25H,3,6,9-10H2,(H2,20,26)(H,21,22,23,24).
What are the key properties of 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide?
6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide has a molecular weight of 351.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide is sourced from PubChem (CID 123830213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).