N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide

C22H23N3O4 — CID 163277167

IUPACN-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC3CNC3)c(-c3c(C)noc3C)c2)c1
InChIInChI=1S/C22H23N3O4/c1-13-21(14(2)29-25-13)19-10-16(7-8-20(19)28-18-11-23-12-18)24-22(26)15-5-4-6-17(9-15)27-3/h4-10,18,23H,11-12H2,1-3H3,(H,24,26)
InChIKeyRVIPCMJSOCLYDZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.57
Rot. Bonds6

About N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide

N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide (PubChem CID 163277167) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide
PubChem CID163277167
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC3CNC3)c(-c3c(C)noc3C)c2)c1
InChIInChI=1S/C22H23N3O4/c1-13-21(14(2)29-25-13)19-10-16(7-8-20(19)28-18-11-23-12-18)24-22(26)15-5-4-6-17(9-15)27-3/h4-10,18,23H,11-12H2,1-3H3,(H,24,26)
InChIKeyRVIPCMJSOCLYDZ-UHFFFAOYSA-N
XLogP3.57
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide
CID 163277264
N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
CID 163276867
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyanilino]methylidene]propanedioic acid
CID 70661965
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 38236289
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117085382

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide (CID 163277167) is N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(OC3CNC3)c(-c3c(C)noc3C)c2)c1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide?
The InChIKey is RVIPCMJSOCLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-21(14(2)29-25-13)19-10-16(7-8-20(19)28-18-11-23-12-18)24-22(26)15-5-4-6-17(9-15)27-3/h4-10,18,23H,11-12H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide?
N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide has a molecular weight of 393.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 163277167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).