N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide

C15H18N2O3 — CID 95856797

IUPACN-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1CC1
InChIInChI=1S/C15H18N2O3/c1-2-11(16-14(18)10-7-8-10)9-17-12-5-3-4-6-13(12)20-15(17)19/h3-6,10-11H,2,7-9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyABQRRTJBJWRVGG-LLVKDONJSA-N
MW274.32 g/mol
LogP1.90
Rot. Bonds5

About N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide

N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide (PubChem CID 95856797) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
PubChem CID95856797
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1CC1
InChIInChI=1S/C15H18N2O3/c1-2-11(16-14(18)10-7-8-10)9-17-12-5-3-4-6-13(12)20-15(17)19/h3-6,10-11H,2,7-9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyABQRRTJBJWRVGG-LLVKDONJSA-N
XLogP1.90
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide
CID 110244689
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one
CID 104747231
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide
CID 110211148
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 9206469
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 95791970
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2088423
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894254
N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
CID 95791951

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide (CID 95856797) is N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide is CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1CC1.
What is the InChIKey of N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide?
The InChIKey is ABQRRTJBJWRVGG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-11(16-14(18)10-7-8-10)9-17-12-5-3-4-6-13(12)20-15(17)19/h3-6,10-11H,2,7-9H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide?
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 95856797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).