N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide

C14H16FN5O3 — CID 128973573

IUPACN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)on1
InChIInChI=1S/C14H16FN5O3/c1-22-13-6-11(23-19-13)14(21)16-7-10-5-9(15)8-20(10)12-3-2-4-17-18-12/h2-4,6,9-10H,5,7-8H2,1H3,(H,16,21)/t9-,10-/m0/s1
InChIKeyBPIFFMHCGKHNMF-UWVGGRQHSA-N
MW321.31 g/mol
LogP0.82
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 128973573) has the molecular formula C14H16FN5O3 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID128973573
Molecular FormulaC14H16FN5O3
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)on1
InChIInChI=1S/C14H16FN5O3/c1-22-13-6-11(23-19-13)14(21)16-7-10-5-9(15)8-20(10)12-3-2-4-17-18-12/h2-4,6,9-10H,5,7-8H2,1H3,(H,16,21)/t9-,10-/m0/s1
InChIKeyBPIFFMHCGKHNMF-UWVGGRQHSA-N
XLogP0.82
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128972811
(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide
CID 129346080
1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 128972211
N-(1-benzofuran-3-ylmethyl)-1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 128972201
3-methoxy-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 90573784
(3S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thian-3-amine
CID 129340407
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 128971208
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97351811
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 128990795

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 128973573) is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is BPIFFMHCGKHNMF-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16FN5O3/c1-22-13-6-11(23-19-13)14(21)16-7-10-5-9(15)8-20(10)12-3-2-4-17-18-12/h2-4,6,9-10H,5,7-8H2,1H3,(H,16,21)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 0.82, 5 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-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128973573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).