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

C13H16FN5O3 — CID 128974804

IUPACN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)o1
InChIInChI=1S/C13H16FN5O3/c1-7-11(16-6-21-7)12(20)15-4-10-3-9(14)5-19(10)13-18-17-8(2)22-13/h6,9-10H,3-5H2,1-2H3,(H,15,20)/t9-,10-/m0/s1
InChIKeyDYCDCLIXTLVVHB-UWVGGRQHSA-N
MW309.30 g/mol
LogP1.02
Rot. Bonds4

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

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 128974804) has the molecular formula C13H16FN5O3 and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID128974804
Molecular FormulaC13H16FN5O3
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)o1
InChIInChI=1S/C13H16FN5O3/c1-7-11(16-6-21-7)12(20)15-4-10-3-9(14)5-19(10)13-18-17-8(2)22-13/h6,9-10H,3-5H2,1-2H3,(H,15,20)/t9-,10-/m0/s1
InChIKeyDYCDCLIXTLVVHB-UWVGGRQHSA-N
XLogP1.02
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-ethyl-4-{[(5-methyl-1,3-oxazol-4-yl)carbonyl]amino}-1-[3-(1H-tetrazol-1-yl)propyl]-L-prolinamide
CID 72925487
5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 125165981
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128969950
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128974052
5-ethyl-N-[[3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 137953561
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 154759451
5-methyl-N-[3-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 168452294
5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 86772347
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 86772460
5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 86772512
5-methyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 97845864
5-methyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 97845865

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 128974804) is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)o1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is DYCDCLIXTLVVHB-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H16FN5O3/c1-7-11(16-6-21-7)12(20)15-4-10-3-9(14)5-19(10)13-18-17-8(2)22-13/h6,9-10H,3-5H2,1-2H3,(H,15,20)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128974804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).