N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C14H18N2O3 — CID 51197823

IUPACN-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C)(C)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-14(2,3)15-12(17)8-9-16-10-6-4-5-7-11(10)19-13(16)18/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyBFARRXNWSSTRBD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.90
Rot. Bonds3

About N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 51197823) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID51197823
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C)(C)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-14(2,3)15-12(17)8-9-16-10-6-4-5-7-11(10)19-13(16)18/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyBFARRXNWSSTRBD-UHFFFAOYSA-N
XLogP1.90
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea
CID 9426017
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31551164
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 61262096
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
CID 8756933
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 51197823) is N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(C)(C)NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is BFARRXNWSSTRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)15-12(17)8-9-16-10-6-4-5-7-11(10)19-13(16)18/h4-7H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 51197823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).