N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C19H25N3O3 — CID 124740057

IUPACN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)o1
InChIInChI=1S/C19H25N3O3/c1-13-18(25-14(2)20-13)19(24)21-17-11-22(9-8-16(17)12-23)10-15-6-4-3-5-7-15/h3-7,16-17,23H,8-12H2,1-2H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyUGKUAUKRNCAKDS-DLBZAZTESA-N
MW343.43 g/mol
LogP1.90
Rot. Bonds5

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

N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 124740057) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID124740057
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)o1
InChIInChI=1S/C19H25N3O3/c1-13-18(25-14(2)20-13)19(24)21-17-11-22(9-8-16(17)12-23)10-15-6-4-3-5-7-15/h3-7,16-17,23H,8-12H2,1-2H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyUGKUAUKRNCAKDS-DLBZAZTESA-N
XLogP1.90
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 124740057) is N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)o1.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is UGKUAUKRNCAKDS-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-18(25-14(2)20-13)19(24)21-17-11-22(9-8-16(17)12-23)10-15-6-4-3-5-7-15/h3-7,16-17,23H,8-12H2,1-2H3,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 124740057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).