N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide

C17H16N2O4 — CID 75387529

IUPACN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1ccon1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C17H16N2O4/c20-16-6-2-1-4-13(16)11-19(12-15-5-3-8-22-15)17(21)10-14-7-9-23-18-14/h1-9,20H,10-12H2
InChIKeyJEHHRSBLWOPARU-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.74
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 75387529) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
PubChem CID75387529
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1ccon1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C17H16N2O4/c20-16-6-2-1-4-13(16)11-19(12-15-5-3-8-22-15)17(21)10-14-7-9-23-18-14/h1-9,20H,10-12H2
InChIKeyJEHHRSBLWOPARU-UHFFFAOYSA-N
XLogP2.74
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
CID 96518313
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 134032585
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide
CID 78821884
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide
CID 138034221
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134032583
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide (CID 75387529) is N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide is O=C(Cc1ccon1)N(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is JEHHRSBLWOPARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16-6-2-1-4-13(16)11-19(12-15-5-3-8-22-15)17(21)10-14-7-9-23-18-14/h1-9,20H,10-12H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide?
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 75387529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).