[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid

C19H21N3O6 — CID 67777813

IUPAC[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid
SMILESCc1c(OC[C@H](C)NC(=O)O)noc1-c1nc2ccc(OCC3CC3)cc2o1
InChIInChI=1S/C19H21N3O6/c1-10(20-19(23)24)8-26-17-11(2)16(28-22-17)18-21-14-6-5-13(7-15(14)27-18)25-9-12-3-4-12/h5-7,10,12,20H,3-4,8-9H2,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeyMFTXNIQLDQSVOL-JTQLQIEISA-N
MW387.39 g/mol
LogP3.61
Rot. Bonds8

About [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid

[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid (PubChem CID 67777813) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid
PubChem CID67777813
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid
SMILESCc1c(OC[C@H](C)NC(=O)O)noc1-c1nc2ccc(OCC3CC3)cc2o1
InChIInChI=1S/C19H21N3O6/c1-10(20-19(23)24)8-26-17-11(2)16(28-22-17)18-21-14-6-5-13(7-15(14)27-18)25-9-12-3-4-12/h5-7,10,12,20H,3-4,8-9H2,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeyMFTXNIQLDQSVOL-JTQLQIEISA-N
XLogP3.61
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid?
The IUPAC name of [(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) is [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid is Cc1c(OC[C@H](C)NC(=O)O)noc1-c1nc2ccc(OCC3CC3)cc2o1.
What is the InChIKey of [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid?
The InChIKey is MFTXNIQLDQSVOL-JTQLQIEISA-N. The full InChI is InChI=1S/C19H21N3O6/c1-10(20-19(23)24)8-26-17-11(2)16(28-22-17)18-21-14-6-5-13(7-15(14)27-18)25-9-12-3-4-12/h5-7,10,12,20H,3-4,8-9H2,1-2H3,(H,23,24)/t10-/m0/s1.
What are the key properties of [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid?
[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid has a molecular weight of 387.39 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 67777813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).