N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide

C18H27N5O3 — CID 128965200

IUPACN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)c2cc(OC)no2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H27N5O3/c1-5-23-8-6-7-13(17(23)14-10-19-22(3)12-14)11-21(2)18(24)15-9-16(25-4)20-26-15/h9-10,12-13,17H,5-8,11H2,1-4H3/t13-,17+/m0/s1
InChIKeyIASVHUIUMFFHOU-SUMWQHHRSA-N
MW361.45 g/mol
LogP1.96
Rot. Bonds6

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

N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 128965200) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID128965200
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)c2cc(OC)no2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H27N5O3/c1-5-23-8-6-7-13(17(23)14-10-19-22(3)12-14)11-21(2)18(24)15-9-16(25-4)20-26-15/h9-10,12-13,17H,5-8,11H2,1-4H3/t13-,17+/m0/s1
InChIKeyIASVHUIUMFFHOU-SUMWQHHRSA-N
XLogP1.96
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide (CID 128965200) is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide is CCN1CCC[C@@H](CN(C)C(=O)c2cc(OC)no2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is IASVHUIUMFFHOU-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-5-23-8-6-7-13(17(23)14-10-19-22(3)12-14)11-21(2)18(24)15-9-16(25-4)20-26-15/h9-10,12-13,17H,5-8,11H2,1-4H3/t13-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128965200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).