2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole

C17H21N3O — CID 58123703

IUPAC2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3c(c2)[C@]2(C)CCN[C@H](C3)[C@H]2C)o1
InChIInChI=1S/C17H21N3O/c1-10-15-9-12-4-5-13(16-20-19-11(2)21-16)8-14(12)17(10,3)6-7-18-15/h4-5,8,10,15,18H,6-7,9H2,1-3H3/t10-,15-,17-/m1/s1
InChIKeyXKGJFFFRZPEKCH-IGGJQXEISA-N
MW283.38 g/mol
LogP2.86
Rot. Bonds1

About 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole

2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 58123703) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID58123703
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3c(c2)[C@]2(C)CCN[C@H](C3)[C@H]2C)o1
InChIInChI=1S/C17H21N3O/c1-10-15-9-12-4-5-13(16-20-19-11(2)21-16)8-14(12)17(10,3)6-7-18-15/h4-5,8,10,15,18H,6-7,9H2,1-3H3/t10-,15-,17-/m1/s1
InChIKeyXKGJFFFRZPEKCH-IGGJQXEISA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole with MolForge

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Related Compounds

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
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CID 21078798
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078793
N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
CID 21078794
2-Methyl-5-{4-methyl-3-[4-(piperidin-1-ylcarbonyl)phenyl]phenyl}-1,3,4-oxadiazole
CID 25093468
4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 25093470
N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093474
N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093475
N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanamine
CID 38030623
N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]propan-2-amine
CID 38030649
2-(3-Methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 6624997

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole (CID 58123703) is 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc3c(c2)[C@]2(C)CCN[C@H](C3)[C@H]2C)o1.
What is the InChIKey of 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is XKGJFFFRZPEKCH-IGGJQXEISA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-15-9-12-4-5-13(16-20-19-11(2)21-16)8-14(12)17(10,3)6-7-18-15/h4-5,8,10,15,18H,6-7,9H2,1-3H3/t10-,15-,17-/m1/s1.
What are the key properties of 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole?
2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 283.38 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 58123703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).