N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide

C19H21FN4O4 — CID 123858906

IUPACN-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1n[nH]c(-c2nc3ccc(OCC4CC4)cc3o2)c1F
InChIInChI=1S/C19H21FN4O4/c1-10(21-11(2)25)8-27-18-16(20)17(23-24-18)19-22-14-6-5-13(7-15(14)28-19)26-9-12-3-4-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyWUOMIUBWAGDCEX-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.05
Rot. Bonds8

About N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide

N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide (PubChem CID 123858906) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide
PubChem CID123858906
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC NameN-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1n[nH]c(-c2nc3ccc(OCC4CC4)cc3o2)c1F
InChIInChI=1S/C19H21FN4O4/c1-10(21-11(2)25)8-27-18-16(20)17(23-24-18)19-22-14-6-5-13(7-15(14)28-19)26-9-12-3-4-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyWUOMIUBWAGDCEX-UHFFFAOYSA-N
XLogP3.05
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide
CID 67778633
N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777812
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778322
[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid
CID 67777813
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-5-fluoro-3-pyridinyl]oxy]propan-2-yl]urea
CID 67778683
1-[1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-5-fluoro-3-pyridinyl]oxy]propan-2-yl]-3-methylurea
CID 77353934
N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 57344092
N-[(2S)-1-[[2-[4-[(2,2-difluorocyclopropyl)methoxy]-3-fluorophenyl]-1,3-benzoxazol-6-yl]oxy]propan-2-yl]acetamide
CID 86731262
N-[(2S)-1-[[2-[4-(2,2-difluoropropoxy)-3-fluorophenyl]-1,3-benzoxazol-6-yl]oxy]propan-2-yl]acetamide
CID 90354406
N-[(2S)-1-[[6-[6-(2,2-difluoropropoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777787
N-[(2S)-1-[[2-[4-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
CID 86731418
N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
CID 90354240

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide (CID 123858906) is N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide is CC(=O)NC(C)COc1n[nH]c(-c2nc3ccc(OCC4CC4)cc3o2)c1F.
What is the InChIKey of N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide?
The InChIKey is WUOMIUBWAGDCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-10(21-11(2)25)8-27-18-16(20)17(23-24-18)19-22-14-6-5-13(7-15(14)28-19)26-9-12-3-4-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide?
N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 123858906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).