[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate

C20H26N2O4 — CID 8860037

IUPAC[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
SMILESC[C@@H](OC(=O)CCc1nc2ccccc2o1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H26N2O4/c1-14(20(24)21-15-8-4-2-3-5-9-15)25-19(23)13-12-18-22-16-10-6-7-11-17(16)26-18/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyHPIIALMXOSUWNN-CQSZACIVSA-N
MW358.44 g/mol
LogP3.53
Rot. Bonds6

About [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate (PubChem CID 8860037) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate.

Molecular Properties

Compound Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
PubChem CID8860037
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
SMILESC[C@@H](OC(=O)CCc1nc2ccccc2o1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H26N2O4/c1-14(20(24)21-15-8-4-2-3-5-9-15)25-19(23)13-12-18-22-16-10-6-7-11-17(16)26-18/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyHPIIALMXOSUWNN-CQSZACIVSA-N
XLogP3.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811541
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8859802
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 7846965
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8860288
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836198
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 47011704
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 51614529
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836231
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836233

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate?
The IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate (CID 8860037) is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate.
What is the SMILES notation for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate?
The canonical SMILES for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate is C[C@@H](OC(=O)CCc1nc2ccccc2o1)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate?
The InChIKey is HPIIALMXOSUWNN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(20(24)21-15-8-4-2-3-5-9-15)25-19(23)13-12-18-22-16-10-6-7-11-17(16)26-18/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate?
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate has a molecular weight of 358.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate is sourced from PubChem (CID 8860037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).