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

C19H21N3O6 — CID 67962163

IUPACmethyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)COc1cc(-c2nc3cc(OCC4CC4)ccc3o2)on1
InChIInChI=1S/C19H21N3O6/c1-11(20-19(23)24-2)9-26-17-8-16(28-22-17)18-21-14-7-13(5-6-15(14)27-18)25-10-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyOXUGAIQIURXKJT-NSHDSACASA-N
MW387.39 g/mol
LogP3.39
Rot. Bonds8

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

methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate (PubChem CID 67962163) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate
PubChem CID67962163
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Namemethyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)COc1cc(-c2nc3cc(OCC4CC4)ccc3o2)on1
InChIInChI=1S/C19H21N3O6/c1-11(20-19(23)24-2)9-26-17-8-16(28-22-17)18-21-14-7-13(5-6-15(14)27-18)25-10-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyOXUGAIQIURXKJT-NSHDSACASA-N
XLogP3.39
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate (CID 67962163) is methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate is COC(=O)N[C@@H](C)COc1cc(-c2nc3cc(OCC4CC4)ccc3o2)on1.
What is the InChIKey of methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate?
The InChIKey is OXUGAIQIURXKJT-NSHDSACASA-N. The full InChI is InChI=1S/C19H21N3O6/c1-11(20-19(23)24-2)9-26-17-8-16(28-22-17)18-21-14-7-13(5-6-15(14)27-18)25-10-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)/t11-/m0/s1.
What are the key properties of methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate?
methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate has a molecular weight of 387.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[[5-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamate is sourced from PubChem (CID 67962163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).