N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide

C18H24N4O2 — CID 91911084

IUPACN-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C18H24N4O2/c1-21(2)10-15-11-22(9-14-6-4-3-5-7-14)12-16(15)20-18(23)17-8-19-13-24-17/h3-8,13,15-16H,9-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyKNGSSEVVJLRWES-HZPDHXFCSA-N
MW328.42 g/mol
LogP1.47
Rot. Bonds6

About N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide

N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 91911084) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID91911084
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C18H24N4O2/c1-21(2)10-15-11-22(9-14-6-4-3-5-7-14)12-16(15)20-18(23)17-8-19-13-24-17/h3-8,13,15-16H,9-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyKNGSSEVVJLRWES-HZPDHXFCSA-N
XLogP1.47
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (CID 91911084) is N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnco1.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is KNGSSEVVJLRWES-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(2)10-15-11-22(9-14-6-4-3-5-7-14)12-16(15)20-18(23)17-8-19-13-24-17/h3-8,13,15-16H,9-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91911084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).