N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide

C19H25N5O3 — CID 72870567

IUPACN-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C19H25N5O3/c1-22(12-16-15-6-2-3-7-17(15)27-21-16)19(26)13-24-18(25)10-14(11-20-24)23-8-4-5-9-23/h10-11H,2-9,12-13H2,1H3
InChIKeyZGDVRQAMKAHPDJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide

N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide (PubChem CID 72870567) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
PubChem CID72870567
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C19H25N5O3/c1-22(12-16-15-6-2-3-7-17(15)27-21-16)19(26)13-24-18(25)10-14(11-20-24)23-8-4-5-9-23/h10-11H,2-9,12-13H2,1H3
InChIKeyZGDVRQAMKAHPDJ-UHFFFAOYSA-N
XLogP1.37
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide (CID 72870567) is N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide is CN(Cc1noc2c1CCCC2)C(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The InChIKey is ZGDVRQAMKAHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-22(12-16-15-6-2-3-7-17(15)27-21-16)19(26)13-24-18(25)10-14(11-20-24)23-8-4-5-9-23/h10-11H,2-9,12-13H2,1H3.
What are the key properties of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 72870567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).