3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C28H29N5O4 — CID 166997139

IUPAC3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1ccccc1-c1noc(C2CC2)c1COC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2noc(=O)[nH]2)cn1
InChIInChI=1S/C28H29N5O4/c1-16-4-2-3-5-22(16)25-23(26(36-31-25)17-6-7-17)15-35-21-12-19-9-10-20(13-21)33(19)24-11-8-18(14-29-24)27-30-28(34)37-32-27/h2-5,8,11,14,17,19-21H,6-7,9-10,12-13,15H2,1H3,(H,30,32,34)/t19-,20+,21?
InChIKeyRXDJJCIXPWDJOK-WCRBZPEASA-N
MW499.57 g/mol
LogP4.98
Rot. Bonds7

About 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 166997139) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID166997139
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1ccccc1-c1noc(C2CC2)c1COC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2noc(=O)[nH]2)cn1
InChIInChI=1S/C28H29N5O4/c1-16-4-2-3-5-22(16)25-23(26(36-31-25)17-6-7-17)15-35-21-12-19-9-10-20(13-21)33(19)24-11-8-18(14-29-24)27-30-28(34)37-32-27/h2-5,8,11,14,17,19-21H,6-7,9-10,12-13,15H2,1H3,(H,30,32,34)/t19-,20+,21?
InChIKeyRXDJJCIXPWDJOK-WCRBZPEASA-N
XLogP4.98
TPSA110.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 166996982
3-[4-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 169274056
6-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
CID 123313183
(2S,3S,4S,5R,6S)-6-[6-[(1S,5R)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 118421877
methyl 4-[(5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorobenzoate
CID 118421767
methyl 5-cyclopropyl-6-[(5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate
CID 118421709
7-[(5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118421873
methyl 2-[6-[(5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetate
CID 130283494
ethyl 6-[(5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]imidazo[1,2-b]pyridazine-2-carboxylate
CID 118421869
3-[4-[4-[[3-(2-chlorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 164566810
2-[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-1,3-benzothiazole-6-carboxylic acid
CID 67984603
6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid
CID 134528877

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 166997139) is 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one is Cc1ccccc1-c1noc(C2CC2)c1COC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2noc(=O)[nH]2)cn1.
What is the InChIKey of 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is RXDJJCIXPWDJOK-WCRBZPEASA-N. The full InChI is InChI=1S/C28H29N5O4/c1-16-4-2-3-5-22(16)25-23(26(36-31-25)17-6-7-17)15-35-21-12-19-9-10-20(13-21)33(19)24-11-8-18(14-29-24)27-30-28(34)37-32-27/h2-5,8,11,14,17,19-21H,6-7,9-10,12-13,15H2,1H3,(H,30,32,34)/t19-,20+,21?.
What are the key properties of 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 499.57 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 166997139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).