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

C15H24N4O2S — CID 145040477

IUPACN-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCSN1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C15H24N4O2S/c16-6-1-9-22-19-7-4-12(5-8-19)17-15(20)13-10-14(21-18-13)11-2-3-11/h10-12H,1-9,16H2,(H,17,20)
InChIKeyVYOJJOBBCSWEPU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.74
Rot. Bonds7

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

N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 145040477) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID145040477
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCSN1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C15H24N4O2S/c16-6-1-9-22-19-7-4-12(5-8-19)17-15(20)13-10-14(21-18-13)11-2-3-11/h10-12H,1-9,16H2,(H,17,20)
InChIKeyVYOJJOBBCSWEPU-UHFFFAOYSA-N
XLogP1.74
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 118947282
Cym-5541
CID 17253208
N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 132242493
5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
CID 145722469
5-cyclopropyl-N-(1-methanesulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 45808906
5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155522833
5-cyclopropyl-N-[1-[[4-(dimethylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155527784
5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155566734
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
5-cyclopropyl-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluorobutyl)piperidin-4-yl)methyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)isoxazole-3-carboxamide
CID 118947283
N-[1-(2-Chloroacetyl)-4-piperidinyl]-5-cyclopropyl-3-isoxazolecarboxamide
CID 118949515

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 145040477) is N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NCCCSN1CCC(NC(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is VYOJJOBBCSWEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c16-6-1-9-22-19-7-4-12(5-8-19)17-15(20)13-10-14(21-18-13)11-2-3-11/h10-12H,1-9,16H2,(H,17,20).
What are the key properties of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145040477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).