3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide

C14H16N2O3 — CID 77055782

IUPAC3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCC(CO)CNC(=O)C=Cc1nc2ccccc2o1
InChIInChI=1S/C14H16N2O3/c1-10(9-17)8-15-13(18)6-7-14-16-11-4-2-3-5-12(11)19-14/h2-7,10,17H,8-9H2,1H3,(H,15,18)
InChIKeyPZGBGPSQEIEKBQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.59
Rot. Bonds5

About 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide

3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide (PubChem CID 77055782) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
PubChem CID77055782
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCC(CO)CNC(=O)C=Cc1nc2ccccc2o1
InChIInChI=1S/C14H16N2O3/c1-10(9-17)8-15-13(18)6-7-14-16-11-4-2-3-5-12(11)19-14/h2-7,10,17H,8-9H2,1H3,(H,15,18)
InChIKeyPZGBGPSQEIEKBQ-UHFFFAOYSA-N
XLogP1.59
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953448
(E)-3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-methyl-3-morpholin-4-ylpropyl]prop-2-enamide
CID 95981089
N-(2-amino-2-oxoethyl)-3-(1,3-benzoxazol-2-yl)prop-2-enamide
CID 76873687
3-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]butanoic acid
CID 43360838
3-(1,3-benzoxazol-2-yl)-N-(2-bromoprop-2-enyl)prop-2-enamide
CID 91942685
(Z)-3-(1,3-benzoxazol-2-yl)-N-[2-(methanesulfonamido)ethyl]prop-2-enamide
CID 94653719
3-(1,3-benzoxazol-2-yl)-N-(2-hydroxy-2-methylbutyl)prop-2-enamide
CID 77056591
4-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]pentanoic acid
CID 77020455
(2S,3R)-2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104964853
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]prop-2-enamide
CID 95738709
(E)-3-(1,3-benzoxazol-2-yl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 33449264
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 87028622

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide (CID 77055782) is 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide is CC(CO)CNC(=O)C=Cc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The InChIKey is PZGBGPSQEIEKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(9-17)8-15-13(18)6-7-14-16-11-4-2-3-5-12(11)19-14/h2-7,10,17H,8-9H2,1H3,(H,15,18).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide has a molecular weight of 260.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 77055782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).