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

C16H21N5O — CID 126919780

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(Cc1ccon1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C16H21N5O/c1-20(9-13-6-7-22-19-13)14-10-21(11-14)16-8-12-4-2-3-5-15(12)17-18-16/h6-8,14H,2-5,9-11H2,1H3
InChIKeyVVZNJXZYDBPMBT-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.66
Rot. Bonds4

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

N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (PubChem CID 126919780) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
PubChem CID126919780
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(Cc1ccon1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C16H21N5O/c1-20(9-13-6-7-22-19-13)14-10-21(11-14)16-8-12-4-2-3-5-15(12)17-18-16/h6-8,14H,2-5,9-11H2,1H3
InChIKeyVVZNJXZYDBPMBT-UHFFFAOYSA-N
XLogP1.66
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (CID 126919780) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is CN(Cc1ccon1)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The InChIKey is VVZNJXZYDBPMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(9-13-6-7-22-19-13)14-10-21(11-14)16-8-12-4-2-3-5-15(12)17-18-16/h6-8,14H,2-5,9-11H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine has a molecular weight of 299.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is sourced from PubChem (CID 126919780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).