N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

C18H25N5O — CID 126919770

IUPACN-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCc1cc(CCN(C)C2CN(c3cc4c(nn3)CCCC4)C2)on1
InChIInChI=1S/C18H25N5O/c1-13-9-16(24-21-13)7-8-22(2)15-11-23(12-15)18-10-14-5-3-4-6-17(14)19-20-18/h9-10,15H,3-8,11-12H2,1-2H3
InChIKeyGXGWAPYTOYCTKC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.01
Rot. Bonds5

About N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (PubChem CID 126919770) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
PubChem CID126919770
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCc1cc(CCN(C)C2CN(c3cc4c(nn3)CCCC4)C2)on1
InChIInChI=1S/C18H25N5O/c1-13-9-16(24-21-13)7-8-22(2)15-11-23(12-15)18-10-14-5-3-4-6-17(14)19-20-18/h9-10,15H,3-8,11-12H2,1-2H3
InChIKeyGXGWAPYTOYCTKC-UHFFFAOYSA-N
XLogP2.01
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The IUPAC name of N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (CID 126919770) is N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is Cc1cc(CCN(C)C2CN(c3cc4c(nn3)CCCC4)C2)on1.
What is the InChIKey of N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The InChIKey is GXGWAPYTOYCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-9-16(24-21-13)7-8-22(2)15-11-23(12-15)18-10-14-5-3-4-6-17(14)19-20-18/h9-10,15H,3-8,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine has a molecular weight of 327.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is sourced from PubChem (CID 126919770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).