N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide

C15H16F2N4O3 — CID 54096651

IUPACN-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1ccc2c(c1)OC(F)(F)c1nccn1-2
InChIInChI=1S/C15H16F2N4O3/c1-9(22)19-7-11(23)8-20-10-2-3-12-13(6-10)24-15(16,17)14-18-4-5-21(12)14/h2-6,11,20,23H,7-8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyMXOONWRACGSUIW-NSHDSACASA-N
MW338.31 g/mol
LogP1.22
Rot. Bonds5

About N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide

N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide (PubChem CID 54096651) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide
PubChem CID54096651
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC NameN-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1ccc2c(c1)OC(F)(F)c1nccn1-2
InChIInChI=1S/C15H16F2N4O3/c1-9(22)19-7-11(23)8-20-10-2-3-12-13(6-10)24-15(16,17)14-18-4-5-21(12)14/h2-6,11,20,23H,7-8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyMXOONWRACGSUIW-NSHDSACASA-N
XLogP1.22
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide?
The IUPAC name of N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide (CID 54096651) is N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide is CC(=O)NC[C@H](O)CNc1ccc2c(c1)OC(F)(F)c1nccn1-2.
What is the InChIKey of N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide?
The InChIKey is MXOONWRACGSUIW-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F2N4O3/c1-9(22)19-7-11(23)8-20-10-2-3-12-13(6-10)24-15(16,17)14-18-4-5-21(12)14/h2-6,11,20,23H,7-8H2,1H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide?
N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide has a molecular weight of 338.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide is sourced from PubChem (CID 54096651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).