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

C21H21N3O3 — CID 163277264

IUPACN-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide
SMILESCc1noc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OC1CNC1
InChIInChI=1S/C21H21N3O3/c1-13-20(14(2)27-24-13)18-10-16(8-9-19(18)26-17-11-22-12-17)23-21(25)15-6-4-3-5-7-15/h3-10,17,22H,11-12H2,1-2H3,(H,23,25)
InChIKeyJKKUZJBNWKIOSE-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.56
Rot. Bonds5

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

N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide (PubChem CID 163277264) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide
PubChem CID163277264
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide
SMILESCc1noc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OC1CNC1
InChIInChI=1S/C21H21N3O3/c1-13-20(14(2)27-24-13)18-10-16(8-9-19(18)26-17-11-22-12-17)23-21(25)15-6-4-3-5-7-15/h3-10,17,22H,11-12H2,1-2H3,(H,23,25)
InChIKeyJKKUZJBNWKIOSE-UHFFFAOYSA-N
XLogP3.56
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-methoxybenzamide
CID 163277167
N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
CID 163276867
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine
CID 163277112
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
4-cyclopentyloxy-N-(4-cyclopentyloxy-3-phenylphenyl)-3-phenylbenzamide
CID 134391732
N-[3-(4-fluorophenyl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-3-methyl-4-[(3S)-pyrrolidin-3-yl]oxybenzamide
CID 155548404
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117085382
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163277283
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 176870016
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110669843
3-(6-fluoro-3-pyridinyl)-N-[3-(4-methylphenyl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-4-[(3S)-pyrrolidin-3-yl]oxybenzamide
CID 134391671
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyanilino]methylidene]propanedioic acid
CID 70661965

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide (CID 163277264) is N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide is Cc1noc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OC1CNC1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide?
The InChIKey is JKKUZJBNWKIOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-20(14(2)27-24-13)18-10-16(8-9-19(18)26-17-11-22-12-17)23-21(25)15-6-4-3-5-7-15/h3-10,17,22H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide?
N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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]benzamide is sourced from PubChem (CID 163277264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).