N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C18H20N4O4 — CID 72896849

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H20N4O4/c1-21(9-8-15-19-18(26-20-15)12-6-7-12)16(23)10-22-13-4-2-3-5-14(13)25-11-17(22)24/h2-5,12H,6-11H2,1H3
InChIKeySLETWYVNWMPNPR-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.37
Rot. Bonds6

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 72896849) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID72896849
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H20N4O4/c1-21(9-8-15-19-18(26-20-15)12-6-7-12)16(23)10-22-13-4-2-3-5-14(13)25-11-17(22)24/h2-5,12H,6-11H2,1H3
InChIKeySLETWYVNWMPNPR-UHFFFAOYSA-N
XLogP1.37
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 72877654
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97156039
3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
CID 91842616
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 72847131
4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 29151106
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
CID 118783486
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18198390
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
N-(2,3-dimethylphenyl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47064356
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72912208

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 72896849) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is CN(CCc1noc(C2CC2)n1)C(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is SLETWYVNWMPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-21(9-8-15-19-18(26-20-15)12-6-7-12)16(23)10-22-13-4-2-3-5-14(13)25-11-17(22)24/h2-5,12H,6-11H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 72896849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).