N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide

C21H23N3O3 — CID 126445459

IUPACN-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NC[C@]4(O)CCCNC4)cc3)nc2c1
InChIInChI=1S/C21H23N3O3/c1-14-3-8-18-17(11-14)24-20(27-18)16-6-4-15(5-7-16)19(25)23-13-21(26)9-2-10-22-12-21/h3-8,11,22,26H,2,9-10,12-13H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyKHWQJYQPFNGGHU-NRFANRHFSA-N
MW365.43 g/mol
LogP2.65
Rot. Bonds4

About N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide

N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide (PubChem CID 126445459) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide
PubChem CID126445459
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NC[C@]4(O)CCCNC4)cc3)nc2c1
InChIInChI=1S/C21H23N3O3/c1-14-3-8-18-17(11-14)24-20(27-18)16-6-4-15(5-7-16)19(25)23-13-21(26)9-2-10-22-12-21/h3-8,11,22,26H,2,9-10,12-13H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyKHWQJYQPFNGGHU-NRFANRHFSA-N
XLogP2.65
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
methyl 2-[4-[(3-hydroxypiperidin-3-yl)methylcarbamoyl]phenyl]benzoate
CID 119067850
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 126432956
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
CID 124756680
4-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1098849
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 130446005
4-(4,6-dimethoxypyrimidin-2-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide;formic acid
CID 154905103
N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111539002
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide (CID 126445459) is N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)NC[C@]4(O)CCCNC4)cc3)nc2c1.
What is the InChIKey of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide?
The InChIKey is KHWQJYQPFNGGHU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-3-8-18-17(11-14)24-20(27-18)16-6-4-15(5-7-16)19(25)23-13-21(26)9-2-10-22-12-21/h3-8,11,22,26H,2,9-10,12-13H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide?
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 126445459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).