N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H21N3O3 — CID 56752417

IUPACN-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(OC34CCCN(CC3)C4)c2)no1
InChIInChI=1S/C18H21N3O3/c1-13-10-16(20-24-13)17(22)19-14-4-2-5-15(11-14)23-18-6-3-8-21(12-18)9-7-18/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,19,22)
InChIKeyXSKGGVDOIJXAOY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.85
Rot. Bonds4

About N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 56752417) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID56752417
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(OC34CCCN(CC3)C4)c2)no1
InChIInChI=1S/C18H21N3O3/c1-13-10-16(20-24-13)17(22)19-14-4-2-5-15(11-14)23-18-6-3-8-21(12-18)9-7-18/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,19,22)
InChIKeyXSKGGVDOIJXAOY-UHFFFAOYSA-N
XLogP2.85
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95210242
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950959
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888
N-(3-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109199818
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3073016
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 56752417) is N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(OC34CCCN(CC3)C4)c2)no1.
What is the InChIKey of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is XSKGGVDOIJXAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-10-16(20-24-13)17(22)19-14-4-2-5-15(11-14)23-18-6-3-8-21(12-18)9-7-18/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,19,22).
What are the key properties of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56752417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).