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

C16H25FN4O3 — CID 129335827

IUPACN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2CCCCO2)o1
InChIInChI=1S/C16H25FN4O3/c1-11-18-19-16(24-11)21-9-12(17)7-13(21)10-20(2)15(22)8-14-5-3-4-6-23-14/h12-14H,3-10H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyJFVDRMCOILLHNH-IHRRRGAJSA-N
MW340.40 g/mol
LogP1.71
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide (PubChem CID 129335827) has the molecular formula C16H25FN4O3 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
PubChem CID129335827
Molecular FormulaC16H25FN4O3
Molecular Weight340.40 g/mol
Exact Mass340.19
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2CCCCO2)o1
InChIInChI=1S/C16H25FN4O3/c1-11-18-19-16(24-11)21-9-12(17)7-13(21)10-20(2)15(22)8-14-5-3-4-6-23-14/h12-14H,3-10H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyJFVDRMCOILLHNH-IHRRRGAJSA-N
XLogP1.71
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide
CID 129336581
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
CID 129330753
[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 124709330
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610747
1-(2-ethoxyethyl)-3-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]urea
CID 128974797
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolane-2-carboxamide
CID 128994015
N-methyl-2-[(2S)-oxan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]acetamide
CID 129333400
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65155863
2-(cyclopropylmethylamino)-N-methyl-N-(oxan-2-ylmethyl)acetamide;hydrochloride
CID 119746345
N-(3-amino-4-methylpentyl)-N-methyl-2-(oxan-2-yl)acetamide;hydrochloride
CID 119657738
2-(1-ethylpiperidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 95124154

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]-N-methyl-2-[(2S)-oxan-2-yl]acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide (CID 129335827) is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide is Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2CCCCO2)o1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide?
The InChIKey is JFVDRMCOILLHNH-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H25FN4O3/c1-11-18-19-16(24-11)21-9-12(17)7-13(21)10-20(2)15(22)8-14-5-3-4-6-23-14/h12-14H,3-10H2,1-2H3/t12-,13-,14-/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]-N-methyl-2-[(2S)-oxan-2-yl]acetamide?
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide has a molecular weight of 340.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-N-methyl-2-[(2S)-oxan-2-yl]acetamide is sourced from PubChem (CID 129335827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).