N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C15H17FN6O3 — CID 167848702

IUPACN-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(F)CC(Nc2cc(C(N)=O)ncn2)C1
InChIInChI=1S/C15H17FN6O3/c1-8-10(5-21-25-8)14(24)18-6-15(16)3-9(4-15)22-12-2-11(13(17)23)19-7-20-12/h2,5,7,9H,3-4,6H2,1H3,(H2,17,23)(H,18,24)(H,19,20,22)
InChIKeyHDECNRVCBSXOLZ-UHFFFAOYSA-N
MW348.34 g/mol
LogP0.58
Rot. Bonds6

About N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 167848702) has the molecular formula C15H17FN6O3 and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID167848702
Molecular FormulaC15H17FN6O3
Molecular Weight348.34 g/mol
Exact Mass348.13
IUPAC NameN-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(F)CC(Nc2cc(C(N)=O)ncn2)C1
InChIInChI=1S/C15H17FN6O3/c1-8-10(5-21-25-8)14(24)18-6-15(16)3-9(4-15)22-12-2-11(13(17)23)19-7-20-12/h2,5,7,9H,3-4,6H2,1H3,(H2,17,23)(H,18,24)(H,19,20,22)
InChIKeyHDECNRVCBSXOLZ-UHFFFAOYSA-N
XLogP0.58
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103969910
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65119604
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 115306447
6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide
CID 175850420
5-methyl-1,2-oxazole-4-carboxamide
CID 18366019
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
CID 131142279
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122161827

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 167848702) is N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC1(F)CC(Nc2cc(C(N)=O)ncn2)C1.
What is the InChIKey of N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HDECNRVCBSXOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O3/c1-8-10(5-21-25-8)14(24)18-6-15(16)3-9(4-15)22-12-2-11(13(17)23)19-7-20-12/h2,5,7,9H,3-4,6H2,1H3,(H2,17,23)(H,18,24)(H,19,20,22).
What are the key properties of N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167848702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).