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

C18H27N3O3 — CID 124612300

IUPAC5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H27N3O3/c22-16-4-2-1-3-15(16)21-9-7-13(8-10-21)19-18(23)14-11-17(24-20-14)12-5-6-12/h11-13,15-16,22H,1-10H2,(H,19,23)/t15-,16-/m0/s1
InChIKeyOBGHCZBQXOLMNV-HOTGVXAUSA-N
MW333.43 g/mol
LogP2.05
Rot. Bonds4

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

5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 124612300) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID124612300
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H27N3O3/c22-16-4-2-1-3-15(16)21-9-7-13(8-10-21)19-18(23)14-11-17(24-20-14)12-5-6-12/h11-13,15-16,22H,1-10H2,(H,19,23)/t15-,16-/m0/s1
InChIKeyOBGHCZBQXOLMNV-HOTGVXAUSA-N
XLogP2.05
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 124612300) is 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OBGHCZBQXOLMNV-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-16-4-2-1-3-15(16)21-9-7-13(8-10-21)19-18(23)14-11-17(24-20-14)12-5-6-12/h11-13,15-16,22H,1-10H2,(H,19,23)/t15-,16-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124612300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).