4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

C20H21N3O4 — CID 126448858

IUPAC4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(-c2ccc(O)c(OC)c2)cc1)c1nc(C)no1
InChIInChI=1S/C20H21N3O4/c1-4-16(20-21-12(2)23-27-20)22-19(25)14-7-5-13(6-8-14)15-9-10-17(24)18(11-15)26-3/h5-11,16,24H,4H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyIODRMXSPFCTQSL-INIZCTEOSA-N
MW367.41 g/mol
LogP3.64
Rot. Bonds6

About 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 126448858) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID126448858
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(-c2ccc(O)c(OC)c2)cc1)c1nc(C)no1
InChIInChI=1S/C20H21N3O4/c1-4-16(20-21-12(2)23-27-20)22-19(25)14-7-5-13(6-8-14)15-9-10-17(24)18(11-15)26-3/h5-11,16,24H,4H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyIODRMXSPFCTQSL-INIZCTEOSA-N
XLogP3.64
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 91760035
3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125448468
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
CID 97112460
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125171592
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095
N-[(1R)-2-[4-(4-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide
CID 59852593
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46993244
4-methoxy-N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 93117452
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91769195
2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
CID 59852617
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 126448858) is 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(-c2ccc(O)c(OC)c2)cc1)c1nc(C)no1.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is IODRMXSPFCTQSL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-16(20-21-12(2)23-27-20)22-19(25)14-7-5-13(6-8-14)15-9-10-17(24)18(11-15)26-3/h5-11,16,24H,4H2,1-3H3,(H,22,25)/t16-/m0/s1.
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 126448858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).