propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate

C17H22N2O5 — CID 18204942

IUPACpropan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H22N2O5/c1-12(2)23-16(21)9-10-18-15(20)8-5-11-19-13-6-3-4-7-14(13)24-17(19)22/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,20)
InChIKeyGKULBUFLJULLJL-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.83
Rot. Bonds8

About propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate

propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate (PubChem CID 18204942) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
PubChem CID18204942
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namepropan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H22N2O5/c1-12(2)23-16(21)9-10-18-15(20)8-5-11-19-13-6-3-4-7-14(13)24-17(19)22/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,20)
InChIKeyGKULBUFLJULLJL-UHFFFAOYSA-N
XLogP1.83
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
[(2R)-1-amino-1-oxopropan-2-yl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41240288
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
CID 55879575
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-(2-benzylsulfanylethyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18195767
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55419863
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383544

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate?
The IUPAC name of propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate (CID 18204942) is propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate?
The canonical SMILES for propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate is CC(C)OC(=O)CCNC(=O)CCCn1c(=O)oc2ccccc21.
What is the InChIKey of propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate?
The InChIKey is GKULBUFLJULLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12(2)23-16(21)9-10-18-15(20)8-5-11-19-13-6-3-4-7-14(13)24-17(19)22/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,20).
What are the key properties of propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate?
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate has a molecular weight of 334.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate is sourced from PubChem (CID 18204942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).