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

C18H25N5O2 — CID 128985054

IUPAC3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCN1CCC[C@@H](CNC(=O)c2cc(C3CC3)no2)[C@@H]1c1cncn1C
InChIInChI=1S/C18H25N5O2/c1-22-7-3-4-13(17(22)15-10-19-11-23(15)2)9-20-18(24)16-8-14(21-25-16)12-5-6-12/h8,10-13,17H,3-7,9H2,1-2H3,(H,20,24)/t13-,17+/m0/s1
InChIKeyCRSFCYJLSUBZGO-SUMWQHHRSA-N
MW343.43 g/mol
LogP2.10
Rot. Bonds5

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

3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 128985054) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID128985054
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCN1CCC[C@@H](CNC(=O)c2cc(C3CC3)no2)[C@@H]1c1cncn1C
InChIInChI=1S/C18H25N5O2/c1-22-7-3-4-13(17(22)15-10-19-11-23(15)2)9-20-18(24)16-8-14(21-25-16)12-5-6-12/h8,10-13,17H,3-7,9H2,1-2H3,(H,20,24)/t13-,17+/m0/s1
InChIKeyCRSFCYJLSUBZGO-SUMWQHHRSA-N
XLogP2.10
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (CID 128985054) is 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is CN1CCC[C@@H](CNC(=O)c2cc(C3CC3)no2)[C@@H]1c1cncn1C.
What is the InChIKey of 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is CRSFCYJLSUBZGO-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-7-3-4-13(17(22)15-10-19-11-23(15)2)9-20-18(24)16-8-14(21-25-16)12-5-6-12/h8,10-13,17H,3-7,9H2,1-2H3,(H,20,24)/t13-,17+/m0/s1.
What are the key properties of 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128985054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).