N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide

C17H18N2O4 — CID 95791951

IUPACN-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccco1
InChIInChI=1S/C17H18N2O4/c1-11(2)12(18-16(20)15-8-5-9-22-15)10-19-13-6-3-4-7-14(13)23-17(19)21/h3-9,11-12H,10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyRNDVVTBMEUSCPP-LBPRGKRZSA-N
MW314.34 g/mol
LogP2.64
Rot. Bonds5

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

N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide (PubChem CID 95791951) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
PubChem CID95791951
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccco1
InChIInChI=1S/C17H18N2O4/c1-11(2)12(18-16(20)15-8-5-9-22-15)10-19-13-6-3-4-7-14(13)23-17(19)21/h3-9,11-12H,10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyRNDVVTBMEUSCPP-LBPRGKRZSA-N
XLogP2.64
TPSA77.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 95791970
5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide
CID 95791961
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide
CID 106354882
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]pyrazine-2-carboxamide
CID 95856781
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
CID 95856797
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide (CID 95791951) is N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide is CC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccco1.
What is the InChIKey of N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide?
The InChIKey is RNDVVTBMEUSCPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(2)12(18-16(20)15-8-5-9-22-15)10-19-13-6-3-4-7-14(13)23-17(19)21/h3-9,11-12H,10H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide?
N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 95791951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).