N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide

C17H17N3O3 — CID 110773977

IUPACN-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H17N3O3/c1-20(9-6-12-4-7-18-8-5-12)16(21)11-13-2-3-15-14(10-13)19-17(22)23-15/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,22)
InChIKeyXYLGMOYDKSTKFN-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.76
Rot. Bonds5

About N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide

N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110773977) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110773977
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H17N3O3/c1-20(9-6-12-4-7-18-8-5-12)16(21)11-13-2-3-15-14(10-13)19-17(22)23-15/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,22)
InChIKeyXYLGMOYDKSTKFN-UHFFFAOYSA-N
XLogP1.76
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115152122
3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115153102
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115175819
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110774001
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110411692

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide (CID 110773977) is N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)Cc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is XYLGMOYDKSTKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20(9-6-12-4-7-18-8-5-12)16(21)11-13-2-3-15-14(10-13)19-17(22)23-15/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,22).
What are the key properties of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide?
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110773977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).