N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide

C19H24N4O5 — CID 91907346

IUPACN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCOCc1nc(CCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)no1
InChIInChI=1S/C19H24N4O5/c1-13-5-6-15-14(10-13)23(19(25)12-27-15)9-3-4-17(24)20-8-7-16-21-18(11-26-2)28-22-16/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,20,24)
InChIKeyBQKKSLDVEQRFDY-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.39
Rot. Bonds9

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

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide (PubChem CID 91907346) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
PubChem CID91907346
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCOCc1nc(CCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)no1
InChIInChI=1S/C19H24N4O5/c1-13-5-6-15-14(10-13)23(19(25)12-27-15)9-3-4-17(24)20-8-7-16-21-18(11-26-2)28-22-16/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,20,24)
InChIKeyBQKKSLDVEQRFDY-UHFFFAOYSA-N
XLogP1.39
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide (CID 91907346) is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide.
What is the SMILES notation for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The canonical SMILES for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide is COCc1nc(CCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)no1.
What is the InChIKey of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The InChIKey is BQKKSLDVEQRFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-13-5-6-15-14(10-13)23(19(25)12-27-15)9-3-4-17(24)20-8-7-16-21-18(11-26-2)28-22-16/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide has a molecular weight of 388.42 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide is sourced from PubChem (CID 91907346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).