3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole

C15H25N3O — CID 71192784

IUPAC3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole
SMILESCc1noc(C)c1N1CCCC(N2CCCC2)CC1
InChIInChI=1S/C15H25N3O/c1-12-15(13(2)19-16-12)18-10-5-6-14(7-11-18)17-8-3-4-9-17/h14H,3-11H2,1-2H3
InChIKeyDRDOKDVNNAQUGC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.75
Rot. Bonds2

About 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole

3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole (PubChem CID 71192784) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole
PubChem CID71192784
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole
SMILESCc1noc(C)c1N1CCCC(N2CCCC2)CC1
InChIInChI=1S/C15H25N3O/c1-12-15(13(2)19-16-12)18-10-5-6-14(7-11-18)17-8-3-4-9-17/h14H,3-11H2,1-2H3
InChIKeyDRDOKDVNNAQUGC-UHFFFAOYSA-N
XLogP2.75
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole (CID 71192784) is 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole is Cc1noc(C)c1N1CCCC(N2CCCC2)CC1.
What is the InChIKey of 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole?
The InChIKey is DRDOKDVNNAQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-15(13(2)19-16-12)18-10-5-6-14(7-11-18)17-8-3-4-9-17/h14H,3-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole?
3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole has a molecular weight of 263.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-pyrrolidin-1-ylazepan-1-yl)-1,2-oxazole is sourced from PubChem (CID 71192784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).