(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide

C18H23N3O2 — CID 128984998

IUPAC(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C)o1
InChIInChI=1S/C18H23N3O2/c1-13-10-21(11-15-6-4-3-5-7-15)12-16(13)18(22)20-9-17-19-8-14(2)23-17/h3-8,13,16H,9-12H2,1-2H3,(H,20,22)/t13-,16-/m1/s1
InChIKeyNNPJOPAEVWAWJP-CZUORRHYSA-N
MW313.40 g/mol
LogP2.37
Rot. Bonds5

About (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide

(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 128984998) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID128984998
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C)o1
InChIInChI=1S/C18H23N3O2/c1-13-10-21(11-15-6-4-3-5-7-15)12-16(13)18(22)20-9-17-19-8-14(2)23-17/h3-8,13,16H,9-12H2,1-2H3,(H,20,22)/t13-,16-/m1/s1
InChIKeyNNPJOPAEVWAWJP-CZUORRHYSA-N
XLogP2.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 103822240
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
(3S,4S)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxamide
CID 128987078
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 166256732
(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 128984584
(3S,4S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-benzyl-4-methylpyrrolidine-3-carboxamide
CID 128980173
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 166307697
(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
CID 124739989
2-(3,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 71863788

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide (CID 128984998) is (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide is Cc1cnc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C)o1.
What is the InChIKey of (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is NNPJOPAEVWAWJP-CZUORRHYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-10-21(11-15-6-4-3-5-7-15)12-16(13)18(22)20-9-17-19-8-14(2)23-17/h3-8,13,16H,9-12H2,1-2H3,(H,20,22)/t13-,16-/m1/s1.
What are the key properties of (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide?
(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 128984998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).