5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole

C18H25N3O2 — CID 146044554

IUPAC5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)13-4-5-16-15(10-13)19-17(23-16)21-11-14(12-21)20-6-8-22-9-7-20/h4-5,10,14H,6-9,11-12H2,1-3H3
InChIKeyMNKZYEKUCPPAPN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.65
Rot. Bonds2

About 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole

5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole (PubChem CID 146044554) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
PubChem CID146044554
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)13-4-5-16-15(10-13)19-17(23-16)21-11-14(12-21)20-6-8-22-9-7-20/h4-5,10,14H,6-9,11-12H2,1-3H3
InChIKeyMNKZYEKUCPPAPN-UHFFFAOYSA-N
XLogP2.65
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole (CID 146044554) is 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole is CC(C)(C)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1.
What is the InChIKey of 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole?
The InChIKey is MNKZYEKUCPPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)13-4-5-16-15(10-13)19-17(23-16)21-11-14(12-21)20-6-8-22-9-7-20/h4-5,10,14H,6-9,11-12H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole?
5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole has a molecular weight of 315.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 146044554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).