3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole

C15H25N3O — CID 97004937

IUPAC3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)on1
InChIInChI=1S/C15H25N3O/c1-11(2)18-13-4-5-14(18)9-17(7-6-13)10-15-8-12(3)16-19-15/h8,11,13-14H,4-7,9-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyWFKZKPBCHYQEIG-KGLIPLIRSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds3

About 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole

3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole (PubChem CID 97004937) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
PubChem CID97004937
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)on1
InChIInChI=1S/C15H25N3O/c1-11(2)18-13-4-5-14(18)9-17(7-6-13)10-15-8-12(3)16-19-15/h8,11,13-14H,4-7,9-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyWFKZKPBCHYQEIG-KGLIPLIRSA-N
XLogP2.43
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methyl-1,2-oxazole;hydrochloride
CID 120966375
3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 71859846
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 171704888
4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
CID 71985448
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120967190
(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol
CID 99973824
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
5-[(3-butan-2-yl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64951129

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole (CID 97004937) is 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole is Cc1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)on1.
What is the InChIKey of 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole?
The InChIKey is WFKZKPBCHYQEIG-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-13-4-5-14(18)9-17(7-6-13)10-15-8-12(3)16-19-15/h8,11,13-14H,4-7,9-10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole?
3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole has a molecular weight of 263.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97004937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).