N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide

C21H21N3O3 — CID 23428033

IUPACN-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide
SMILESCN(C)C(Cc1ccccc1)c1ncc(C(=O)c2ccccc2NC=O)o1
InChIInChI=1S/C21H21N3O3/c1-24(2)18(12-15-8-4-3-5-9-15)21-22-13-19(27-21)20(26)16-10-6-7-11-17(16)23-14-25/h3-11,13-14,18H,12H2,1-2H3,(H,23,25)
InChIKeyOUPZTQXGGFQPRA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.32
Rot. Bonds8

About N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide

N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide (PubChem CID 23428033) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide
PubChem CID23428033
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide
SMILESCN(C)C(Cc1ccccc1)c1ncc(C(=O)c2ccccc2NC=O)o1
InChIInChI=1S/C21H21N3O3/c1-24(2)18(12-15-8-4-3-5-9-15)21-22-13-19(27-21)20(26)16-10-6-7-11-17(16)23-14-25/h3-11,13-14,18H,12H2,1-2H3,(H,23,25)
InChIKeyOUPZTQXGGFQPRA-UHFFFAOYSA-N
XLogP3.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide?
The IUPAC name of N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide (CID 23428033) is N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide.
What is the SMILES notation for N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide?
The canonical SMILES for N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide is CN(C)C(Cc1ccccc1)c1ncc(C(=O)c2ccccc2NC=O)o1.
What is the InChIKey of N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide?
The InChIKey is OUPZTQXGGFQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(2)18(12-15-8-4-3-5-9-15)21-22-13-19(27-21)20(26)16-10-6-7-11-17(16)23-14-25/h3-11,13-14,18H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide?
N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide has a molecular weight of 363.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide is sourced from PubChem (CID 23428033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).