N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide

C19H21FN4O4 — CID 122497295

IUPACN-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)oc3c2F)cn1
InChIInChI=1S/C19H21FN4O4/c1-10(2)19-24-13-5-6-14(17(20)18(13)28-19)27-16-8-21-15(7-22-16)26-9-11(3)23-12(4)25/h5-8,10-11H,9H2,1-4H3,(H,23,25)/t11-/m0/s1
InChIKeyVOEHFKMZERMUHQ-NSHDSACASA-N
MW388.40 g/mol
LogP3.58
Rot. Bonds7

About N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide

N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide (PubChem CID 122497295) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide
PubChem CID122497295
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC NameN-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)oc3c2F)cn1
InChIInChI=1S/C19H21FN4O4/c1-10(2)19-24-13-5-6-14(17(20)18(13)28-19)27-16-8-21-15(7-22-16)26-9-11(3)23-12(4)25/h5-8,10-11H,9H2,1-4H3,(H,23,25)/t11-/m0/s1
InChIKeyVOEHFKMZERMUHQ-NSHDSACASA-N
XLogP3.58
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide with MolForge

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Related Compounds

5-ethyl-3-[(4-methoxy-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
CID 454414
6-Methoxy-2-(2-((pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]oxazole hydrochloride
CID 66797481
N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472593
N-[(2S)-1-[[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226821
US10150728, Example I-043
CID 122497440
US10150728, Example I-062
CID 122497472
US20230295140, Example 69
CID 146453829
US20230295140, Example 38
CID 146453833
US20230295140, Example 26
CID 146453863
US20230295140, Example 2
CID 146453956
US20230295140, Example 55
CID 146453993
US20230295140, Example 16
CID 146454014

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide (CID 122497295) is N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)oc3c2F)cn1.
What is the InChIKey of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
The InChIKey is VOEHFKMZERMUHQ-NSHDSACASA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-10(2)19-24-13-5-6-14(17(20)18(13)28-19)27-16-8-21-15(7-22-16)26-9-11(3)23-12(4)25/h5-8,10-11H,9H2,1-4H3,(H,23,25)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).