N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide

C15H15FN4O3 — CID 50991316

IUPACN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ncco3)ccc2F)COCC(N)=N1
InChIInChI=1S/C15H15FN4O3/c1-15(8-22-7-12(17)20-15)10-6-9(2-3-11(10)16)19-13(21)14-18-4-5-23-14/h2-6H,7-8H2,1H3,(H2,17,20)(H,19,21)/t15-/m0/s1
InChIKeyWPNIAWBKNBVCGL-HNNXBMFYSA-N
MW318.31 g/mol
LogP1.67
Rot. Bonds3

About N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide (PubChem CID 50991316) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide
PubChem CID50991316
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ncco3)ccc2F)COCC(N)=N1
InChIInChI=1S/C15H15FN4O3/c1-15(8-22-7-12(17)20-15)10-6-9(2-3-11(10)16)19-13(21)14-18-4-5-23-14/h2-6H,7-8H2,1H3,(H2,17,20)(H,19,21)/t15-/m0/s1
InChIKeyWPNIAWBKNBVCGL-HNNXBMFYSA-N
XLogP1.67
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide (CID 50991316) is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ncco3)ccc2F)COCC(N)=N1.
What is the InChIKey of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is WPNIAWBKNBVCGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-15(8-22-7-12(17)20-15)10-6-9(2-3-11(10)16)19-13(21)14-18-4-5-23-14/h2-6H,7-8H2,1H3,(H2,17,20)(H,19,21)/t15-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 50991316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).