6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one

C16H19N3O3 — CID 84598824

IUPAC6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCc1nc(CNC(C)c2ccc3c(c2)NC(=O)CO3)oc1C
InChIInChI=1S/C16H19N3O3/c1-9-11(3)22-16(18-9)7-17-10(2)12-4-5-14-13(6-12)19-15(20)8-21-14/h4-6,10,17H,7-8H2,1-3H3,(H,19,20)
InChIKeyLPWMPZYIESTXPC-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.47
Rot. Bonds4

About 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one

6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 84598824) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID84598824
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCc1nc(CNC(C)c2ccc3c(c2)NC(=O)CO3)oc1C
InChIInChI=1S/C16H19N3O3/c1-9-11(3)22-16(18-9)7-17-10(2)12-4-5-14-13(6-12)19-15(20)8-21-14/h4-6,10,17H,7-8H2,1-3H3,(H,19,20)
InChIKeyLPWMPZYIESTXPC-UHFFFAOYSA-N
XLogP2.47
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[(1S)-1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 34541568
6-[1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 51078445
6-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 126769124
6-[1-(2-pyrrolidin-1-ylethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43203429
3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanenitrile
CID 43207723
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
6-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 61004323
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]ethylurea
CID 83110297
6-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 106396189
methyl 3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoate
CID 43322249
6-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 51119370
6-[1-(thiolan-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 107165855

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one (CID 84598824) is 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one is Cc1nc(CNC(C)c2ccc3c(c2)NC(=O)CO3)oc1C.
What is the InChIKey of 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is LPWMPZYIESTXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-11(3)22-16(18-9)7-17-10(2)12-4-5-14-13(6-12)19-15(20)8-21-14/h4-6,10,17H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 301.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 84598824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).