2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C18H22N4O4 — CID 126424746

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1ccc2c(c1)N(CC(=O)N[C@H](C)c1nnc(C(C)C)o1)C(=O)CO2
InChIInChI=1S/C18H22N4O4/c1-10(2)17-20-21-18(26-17)12(4)19-15(23)8-22-13-7-11(3)5-6-14(13)25-9-16(22)24/h5-7,10,12H,8-9H2,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeySEGWEBAIXFDPEV-GFCCVEGCSA-N
MW358.40 g/mol
LogP2.10
Rot. Bonds5

About 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 126424746) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID126424746
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1ccc2c(c1)N(CC(=O)N[C@H](C)c1nnc(C(C)C)o1)C(=O)CO2
InChIInChI=1S/C18H22N4O4/c1-10(2)17-20-21-18(26-17)12(4)19-15(23)8-22-13-7-11(3)5-6-14(13)25-9-16(22)24/h5-7,10,12H,8-9H2,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeySEGWEBAIXFDPEV-GFCCVEGCSA-N
XLogP2.10
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide with MolForge

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Related Compounds

methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 7495255
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 91842305
N-(2-bromophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18774340
N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide
CID 53085013
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6544541
2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 4145467
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
N-(4-chloro-3-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18773554
N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3600725
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 126424746) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is Cc1ccc2c(c1)N(CC(=O)N[C@H](C)c1nnc(C(C)C)o1)C(=O)CO2.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is SEGWEBAIXFDPEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10(2)17-20-21-18(26-17)12(4)19-15(23)8-22-13-7-11(3)5-6-14(13)25-9-16(22)24/h5-7,10,12H,8-9H2,1-4H3,(H,19,23)/t12-/m1/s1.
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 126424746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).