N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide

C16H18FN3O2 — CID 125143348

IUPACN-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1
InChIInChI=1S/C16H18FN3O2/c1-11-15(19-10-22-11)16(21)18-8-12-6-7-20(9-12)14-5-3-2-4-13(14)17/h2-5,10,12H,6-9H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyGJVJJPFVEOHYER-LBPRGKRZSA-N
MW303.34 g/mol
LogP2.38
Rot. Bonds4

About N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 125143348) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID125143348
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1
InChIInChI=1S/C16H18FN3O2/c1-11-15(19-10-22-11)16(21)18-8-12-6-7-20(9-12)14-5-3-2-4-13(14)17/h2-5,10,12H,6-9H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyGJVJJPFVEOHYER-LBPRGKRZSA-N
XLogP2.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-hydroxypropanamide
CID 91790346
1-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014966
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 139004673
1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 38442047
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118778689
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 97133567
4-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]butanoic acid
CID 122014965
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1,3-oxazole-4-carboxamide
CID 129340499
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide
CID 131890040

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 125143348) is N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1.
What is the InChIKey of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is GJVJJPFVEOHYER-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-15(19-10-22-11)16(21)18-8-12-6-7-20(9-12)14-5-3-2-4-13(14)17/h2-5,10,12H,6-9H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 125143348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).