N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide

C19H20N2O2 — CID 3061435

IUPACN-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C2OC(C)(C)N=C2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2)20-17(14-7-5-4-6-8-14)18(23-19)15-9-11-16(12-10-15)21(3)13-22/h4-13,18H,1-3H3
InChIKeyAIPTVGGEVILGAD-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.58
Rot. Bonds4

About N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide

N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide (PubChem CID 3061435) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide
PubChem CID3061435
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C2OC(C)(C)N=C2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2)20-17(14-7-5-4-6-8-14)18(23-19)15-9-11-16(12-10-15)21(3)13-22/h4-13,18H,1-3H3
InChIKeyAIPTVGGEVILGAD-UHFFFAOYSA-N
XLogP3.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide (CID 3061435) is N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide is CN(C=O)c1ccc(C2OC(C)(C)N=C2c2ccccc2)cc1.
What is the InChIKey of N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide?
The InChIKey is AIPTVGGEVILGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2)20-17(14-7-5-4-6-8-14)18(23-19)15-9-11-16(12-10-15)21(3)13-22/h4-13,18H,1-3H3.
What are the key properties of N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide?
N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide has a molecular weight of 308.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)phenyl]-N-methylformamide is sourced from PubChem (CID 3061435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).