N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide

C18H21N3O3 — CID 136573300

IUPACN-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C(=O)NCc2nc(-c3cccc(O)c3)no2)CC2CCC1C2
InChIInChI=1S/C18H21N3O3/c1-18(9-11-5-6-13(18)7-11)17(23)19-10-15-20-16(21-24-15)12-3-2-4-14(22)8-12/h2-4,8,11,13,22H,5-7,9-10H2,1H3,(H,19,23)
InChIKeyLPSZSJQRTUAKBE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.88
Rot. Bonds4

About N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide

N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 136573300) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID136573300
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C(=O)NCc2nc(-c3cccc(O)c3)no2)CC2CCC1C2
InChIInChI=1S/C18H21N3O3/c1-18(9-11-5-6-13(18)7-11)17(23)19-10-15-20-16(21-24-15)12-3-2-4-14(22)8-12/h2-4,8,11,13,22H,5-7,9-10H2,1H3,(H,19,23)
InChIKeyLPSZSJQRTUAKBE-UHFFFAOYSA-N
XLogP2.88
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

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CID 113310677
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CID 103832480
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
trans-(1R,2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131397
3-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 114016052
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
6,6-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxothiomorpholine-3-carboxamide
CID 118785839
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 136573300) is N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide is CC1(C(=O)NCc2nc(-c3cccc(O)c3)no2)CC2CCC1C2.
What is the InChIKey of N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LPSZSJQRTUAKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(9-11-5-6-13(18)7-11)17(23)19-10-15-20-16(21-24-15)12-3-2-4-14(22)8-12/h2-4,8,11,13,22H,5-7,9-10H2,1H3,(H,19,23).
What are the key properties of N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 136573300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).