N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide

C19H21N3O5 — CID 67778633

IUPACN-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc(-c2nc3ccc(OCC4CC4)cc3o2)on1
InChIInChI=1S/C19H21N3O5/c1-11(20-12(2)23)9-25-18-8-17(27-22-18)19-21-15-6-5-14(7-16(15)26-19)24-10-13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyQHRHIDYCQKXDNA-NSHDSACASA-N
MW371.39 g/mol
LogP3.17
Rot. Bonds8

About N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide (PubChem CID 67778633) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide
PubChem CID67778633
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc(-c2nc3ccc(OCC4CC4)cc3o2)on1
InChIInChI=1S/C19H21N3O5/c1-11(20-12(2)23)9-25-18-8-17(27-22-18)19-21-15-6-5-14(7-16(15)26-19)24-10-13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyQHRHIDYCQKXDNA-NSHDSACASA-N
XLogP3.17
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide (CID 67778633) is N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cc(-c2nc3ccc(OCC4CC4)cc3o2)on1.
What is the InChIKey of N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide?
The InChIKey is QHRHIDYCQKXDNA-NSHDSACASA-N. The full InChI is InChI=1S/C19H21N3O5/c1-11(20-12(2)23)9-25-18-8-17(27-22-18)19-21-15-6-5-14(7-16(15)26-19)24-10-13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,20,23)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 67778633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).