N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide

C26H27N5O4 — CID 52939777

IUPACN-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N
InChIInChI=1S/C26H27N5O4/c1-15(2)34-23-10-9-16(11-17(23)12-27)25-29-24(30-35-25)21-7-3-6-20-19(21)5-4-8-22(20)28-26(33)31-13-18(32)14-31/h3,6-7,9-11,15,18,22,32H,4-5,8,13-14H2,1-2H3,(H,28,33)/t22-/m1/s1
InChIKeyOPLZCRMHHIAIII-JOCHJYFZSA-N
MW473.53 g/mol
LogP3.83
Rot. Bonds5

About N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide

N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide (PubChem CID 52939777) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide
PubChem CID52939777
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC NameN-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N
InChIInChI=1S/C26H27N5O4/c1-15(2)34-23-10-9-16(11-17(23)12-27)25-29-24(30-35-25)21-7-3-6-20-19(21)5-4-8-22(20)28-26(33)31-13-18(32)14-31/h3,6-7,9-11,15,18,22,32H,4-5,8,13-14H2,1-2H3,(H,28,33)/t22-/m1/s1
InChIKeyOPLZCRMHHIAIII-JOCHJYFZSA-N
XLogP3.83
TPSA124.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxypiperidine-1-carboxamide
CID 58344642
(3R)-N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 58344892
3-hydroxy-N-[(1S)-5-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
CID 58354967
(3S)-N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrrolidine-1-carboxamide
CID 58344651
tert-butyl N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 140565325
2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 67198246
5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344864
3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide
CID 123877452
5-(3-cyano-4-propan-2-yloxyphenyl)-3-[5-(sulfinatoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole
CID 67319825
5-[3-[(1R)-1-[[(2R)-3-oxobutan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344779
5-[3-[1-(1-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 146476680
N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 58344783

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide (CID 52939777) is N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N.
What is the InChIKey of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide?
The InChIKey is OPLZCRMHHIAIII-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-15(2)34-23-10-9-16(11-17(23)12-27)25-29-24(30-35-25)21-7-3-6-20-19(21)5-4-8-22(20)28-26(33)31-13-18(32)14-31/h3,6-7,9-11,15,18,22,32H,4-5,8,13-14H2,1-2H3,(H,28,33)/t22-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide?
N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 52939777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).