[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C19H24N2O5 — CID 7400920

IUPAC[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESC[C@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H24N2O5/c1-13(18(23)20-11-14-7-3-2-4-8-14)25-17(22)12-21-15-9-5-6-10-16(15)26-19(21)24/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyAWEMMLTZODWZRF-ZDUSSCGKSA-N
MW360.41 g/mol
LogP2.22
Rot. Bonds6

About [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 7400920) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID7400920
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESC[C@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H24N2O5/c1-13(18(23)20-11-14-7-3-2-4-8-14)25-17(22)12-21-15-9-5-6-10-16(15)26-19(21)24/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyAWEMMLTZODWZRF-ZDUSSCGKSA-N
XLogP2.22
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400679
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400302
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400292
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55310879
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383544
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400857
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836198
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383558
N-(cyclohexylmethyl)-N-cyclopropyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 87028766
1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18277911

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 7400920) is [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is C[C@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)NCC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is AWEMMLTZODWZRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13(18(23)20-11-14-7-3-2-4-8-14)25-17(22)12-21-15-9-5-6-10-16(15)26-19(21)24/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 360.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 7400920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).