N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide

C16H24FN5O3 — CID 167802615

IUPACN-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide
SMILESCN(C)C1CC(C(=O)NC2CCN(C(=O)c3cnc(N)o3)CC2F)C1
InChIInChI=1S/C16H24FN5O3/c1-21(2)10-5-9(6-10)14(23)20-12-3-4-22(8-11(12)17)15(24)13-7-19-16(18)25-13/h7,9-12H,3-6,8H2,1-2H3,(H2,18,19)(H,20,23)
InChIKeyGSEIWXSKHBKFGK-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.27
Rot. Bonds4

About N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide

N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide (PubChem CID 167802615) has the molecular formula C16H24FN5O3 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide
PubChem CID167802615
Molecular FormulaC16H24FN5O3
Molecular Weight353.40 g/mol
Exact Mass353.19
IUPAC NameN-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide
SMILESCN(C)C1CC(C(=O)NC2CCN(C(=O)c3cnc(N)o3)CC2F)C1
InChIInChI=1S/C16H24FN5O3/c1-21(2)10-5-9(6-10)14(23)20-12-3-4-22(8-11(12)17)15(24)13-7-19-16(18)25-13/h7,9-12H,3-6,8H2,1-2H3,(H2,18,19)(H,20,23)
InChIKeyGSEIWXSKHBKFGK-UHFFFAOYSA-N
XLogP0.27
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378243
[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone
CID 166306248
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110702148
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(5-amino-2-methyl-3-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 54917256
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
(3S,4S)-4-[(3-amino-6-bromo-7-fluoroquinolin-4-yl)amino]-3-fluoropiperidine-1-carboxylic acid
CID 141432382
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide (CID 167802615) is N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide is CN(C)C1CC(C(=O)NC2CCN(C(=O)c3cnc(N)o3)CC2F)C1.
What is the InChIKey of N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide?
The InChIKey is GSEIWXSKHBKFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O3/c1-21(2)10-5-9(6-10)14(23)20-12-3-4-22(8-11(12)17)15(24)13-7-19-16(18)25-13/h7,9-12H,3-6,8H2,1-2H3,(H2,18,19)(H,20,23).
What are the key properties of N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide?
N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 167802615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).