N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C19H23N3O4S — CID 122140778

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C19H23N3O4S/c23-19(17-12-18(26-21-17)15-6-7-15)20-16-8-10-22(11-9-16)27(24,25)13-14-4-2-1-3-5-14/h1-5,12,15-16H,6-11,13H2,(H,20,23)
InChIKeyZVOLOLFADKQHEO-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.28
Rot. Bonds6

About N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 122140778) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID122140778
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C19H23N3O4S/c23-19(17-12-18(26-21-17)15-6-7-15)20-16-8-10-22(11-9-16)27(24,25)13-14-4-2-1-3-5-14/h1-5,12,15-16H,6-11,13H2,(H,20,23)
InChIKeyZVOLOLFADKQHEO-UHFFFAOYSA-N
XLogP2.28
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[1-[[4-(dimethylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155527784
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155566734
tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 118947483
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
N-[1-(3-aminopropylsulfanyl)-2-benzylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040339
5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide
CID 146426797
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
5-cyclopropyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386254
N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide
CID 86967936
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 122140778) is N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZVOLOLFADKQHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-19(17-12-18(26-21-17)15-6-7-15)20-16-8-10-22(11-9-16)27(24,25)13-14-4-2-1-3-5-14/h1-5,12,15-16H,6-11,13H2,(H,20,23).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122140778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).