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

C19H27N5O2 — CID 128989386

IUPACN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)o1
InChIInChI=1S/C19H27N5O2/c1-12-18(26-13(2)22-12)19(25)20-11-14-5-4-10-24(15-6-7-15)17(14)16-8-9-21-23(16)3/h8-9,14-15,17H,4-7,10-11H2,1-3H3,(H,20,25)/t14-,17+/m0/s1
InChIKeyWDJJDXSXKJISPZ-WMLDXEAASA-N
MW357.46 g/mol
LogP2.37
Rot. Bonds5

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

N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 128989386) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID128989386
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)o1
InChIInChI=1S/C19H27N5O2/c1-12-18(26-13(2)22-12)19(25)20-11-14-5-4-10-24(15-6-7-15)17(14)16-8-9-21-23(16)3/h8-9,14-15,17H,4-7,10-11H2,1-3H3,(H,20,25)/t14-,17+/m0/s1
InChIKeyWDJJDXSXKJISPZ-WMLDXEAASA-N
XLogP2.37
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 128989386) is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)o1.
What is the InChIKey of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WDJJDXSXKJISPZ-WMLDXEAASA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-18(26-13(2)22-12)19(25)20-11-14-5-4-10-24(15-6-7-15)17(14)16-8-9-21-23(16)3/h8-9,14-15,17H,4-7,10-11H2,1-3H3,(H,20,25)/t14-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 128989386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).