N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride

C11H17ClFN3O2 — CID 154897182

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C11H16FN3O2.ClH/c1-6-10(7(2)17-15-6)11(16)14-5-9-3-8(12)4-13-9;/h8-9,13H,3-5H2,1-2H3,(H,14,16);1H/t8-,9-;/m0./s1
InChIKeyNKLYSDCULFQPNI-OZZZDHQUSA-N
MW277.73 g/mol
LogP1.14
Rot. Bonds3

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 154897182) has the molecular formula C11H17ClFN3O2 and a molecular weight of 277.73 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID154897182
Molecular FormulaC11H17ClFN3O2
Molecular Weight277.73 g/mol
Exact Mass277.10
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C11H16FN3O2.ClH/c1-6-10(7(2)17-15-6)11(16)14-5-9-3-8(12)4-13-9;/h8-9,13H,3-5H2,1-2H3,(H,14,16);1H/t8-,9-;/m0./s1
InChIKeyNKLYSDCULFQPNI-OZZZDHQUSA-N
XLogP1.14
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane
CID 160771197
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43594257
3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 120829752
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382
(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
CID 130608654
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide;hydrochloride
CID 154896237
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119512632
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084624
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
CID 128966217
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride (CID 154897182) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride is Cc1noc(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1.Cl.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is NKLYSDCULFQPNI-OZZZDHQUSA-N. The full InChI is InChI=1S/C11H16FN3O2.ClH/c1-6-10(7(2)17-15-6)11(16)14-5-9-3-8(12)4-13-9;/h8-9,13H,3-5H2,1-2H3,(H,14,16);1H/t8-,9-;/m0./s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 277.73 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154897182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).