N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide

C26H25N3O4S — CID 16867447

IUPACN-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1cc(-c2ccc3ccccc3c2)on1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N3O4S/c30-26(20-10-12-24(13-11-20)34(31,32)29-14-4-1-5-15-29)27-18-23-17-25(33-28-23)22-9-8-19-6-2-3-7-21(19)16-22/h2-3,6-13,16-17H,1,4-5,14-15,18H2,(H,27,30)
InChIKeyDIDJJPHAGLGZNU-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.60
Rot. Bonds6

About N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide

N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 16867447) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID16867447
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1cc(-c2ccc3ccccc3c2)on1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N3O4S/c30-26(20-10-12-24(13-11-20)34(31,32)29-14-4-1-5-15-29)27-18-23-17-25(33-28-23)22-9-8-19-6-2-3-7-21(19)16-22/h2-3,6-13,16-17H,1,4-5,14-15,18H2,(H,27,30)
InChIKeyDIDJJPHAGLGZNU-UHFFFAOYSA-N
XLogP4.60
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16867196
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867364
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3433357
4-(azepan-1-ylsulfonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558410
3,4,5-trimethoxy-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867378
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682921
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682908
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119

Frequently Asked Questions

What is the IUPAC name of N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide (CID 16867447) is N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(NCc1cc(-c2ccc3ccccc3c2)on1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DIDJJPHAGLGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c30-26(20-10-12-24(13-11-20)34(31,32)29-14-4-1-5-15-29)27-18-23-17-25(33-28-23)22-9-8-19-6-2-3-7-21(19)16-22/h2-3,6-13,16-17H,1,4-5,14-15,18H2,(H,27,30).
What are the key properties of N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 475.57 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 16867447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).