N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C26H36N4O4S — CID 155531309

IUPACN-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccccc3)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C26H36N4O4S/c31-26(24-16-25(34-29-24)21-8-9-21)28-23-12-14-30(15-13-23)35(32,33)18-20-6-10-22(11-7-20)27-17-19-4-2-1-3-5-19/h1-5,16,20-23,27H,6-15,17-18H2,(H,28,31)
InChIKeySQGOVOAUUGBLLJ-UHFFFAOYSA-N
MW500.67 g/mol
LogP3.42
Rot. Bonds9

About N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 155531309) has the molecular formula C26H36N4O4S and a molecular weight of 500.67 g/mol. Its IUPAC name is N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID155531309
Molecular FormulaC26H36N4O4S
Molecular Weight500.67 g/mol
Exact Mass500.25
IUPAC NameN-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccccc3)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C26H36N4O4S/c31-26(24-16-25(34-29-24)21-8-9-21)28-23-12-14-30(15-13-23)35(32,33)18-20-6-10-22(11-7-20)27-17-19-4-2-1-3-5-19/h1-5,16,20-23,27H,6-15,17-18H2,(H,28,31)
InChIKeySQGOVOAUUGBLLJ-UHFFFAOYSA-N
XLogP3.42
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.67
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 155531309) is N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccccc3)CC2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is SQGOVOAUUGBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S/c31-26(24-16-25(34-29-24)21-8-9-21)28-23-12-14-30(15-13-23)35(32,33)18-20-6-10-22(11-7-20)27-17-19-4-2-1-3-5-19/h1-5,16,20-23,27H,6-15,17-18H2,(H,28,31).
What are the key properties of N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 500.67 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155531309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).