N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C22H22N4O4 — CID 95092162

IUPACN-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCCN1C(=O)COc2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc21
InChIInChI=1S/C22H22N4O4/c1-3-11-26-17-12-16(9-10-18(17)29-13-19(26)27)20-24-22(30-25-20)14(2)23-21(28)15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,28)/t14-/m0/s1
InChIKeyYOLUIVJORZYINI-AWEZNQCLSA-N
MW406.44 g/mol
LogP3.36
Rot. Bonds6

About N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 95092162) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID95092162
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCCN1C(=O)COc2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc21
InChIInChI=1S/C22H22N4O4/c1-3-11-26-17-12-16(9-10-18(17)29-13-19(26)27)20-24-22(30-25-20)14(2)23-21(28)15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,28)/t14-/m0/s1
InChIKeyYOLUIVJORZYINI-AWEZNQCLSA-N
XLogP3.36
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 95092162) is N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CCCN1C(=O)COc2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc21.
What is the InChIKey of N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is YOLUIVJORZYINI-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-3-11-26-17-12-16(9-10-18(17)29-13-19(26)27)20-24-22(30-25-20)14(2)23-21(28)15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,28)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 406.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 95092162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).