4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide

C24H21N5O4 — CID 38476918

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)no1
InChIInChI=1S/C24H21N5O4/c1-16-25-22(29-33-16)15-32-21-13-7-17(8-14-21)23(30)26-19-9-11-20(12-10-19)28-24(31)27-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyQVBHMGDMAYKCGA-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.85
Rot. Bonds7

About 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 38476918) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID38476918
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)no1
InChIInChI=1S/C24H21N5O4/c1-16-25-22(29-33-16)15-32-21-13-7-17(8-14-21)23(30)26-19-9-11-20(12-10-19)28-24(31)27-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyQVBHMGDMAYKCGA-UHFFFAOYSA-N
XLogP4.85
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55654311
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 166393949
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide
CID 119780074
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591774
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46401890
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide (CID 38476918) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide is Cc1nc(COc2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is QVBHMGDMAYKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-16-25-22(29-33-16)15-32-21-13-7-17(8-14-21)23(30)26-19-9-11-20(12-10-19)28-24(31)27-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 443.46 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 38476918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).