4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole

C14H27N3O — CID 165015166

IUPAC4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole
SMILESCC(C)N1CCCOCC1.CC(C)c1ccn[nH]1
InChIInChI=1S/C8H17NO.C6H10N2/c1-8(2)9-4-3-6-10-7-5-9;1-5(2)6-3-4-7-8-6/h8H,3-7H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyKHNKHOCRVRTODU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.65
Rot. Bonds2

About 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole

4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole (PubChem CID 165015166) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole
PubChem CID165015166
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole
SMILESCC(C)N1CCCOCC1.CC(C)c1ccn[nH]1
InChIInChI=1S/C8H17NO.C6H10N2/c1-8(2)9-4-3-6-10-7-5-9;1-5(2)6-3-4-7-8-6/h8H,3-7H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyKHNKHOCRVRTODU-UHFFFAOYSA-N
XLogP2.65
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole?
The IUPAC name of 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole (CID 165015166) is 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole is CC(C)N1CCCOCC1.CC(C)c1ccn[nH]1.
What is the InChIKey of 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole?
The InChIKey is KHNKHOCRVRTODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C6H10N2/c1-8(2)9-4-3-6-10-7-5-9;1-5(2)6-3-4-7-8-6/h8H,3-7H2,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole?
4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole has a molecular weight of 253.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,4-oxazepane;5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 165015166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).