N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H27N3O2 — CID 18167064

IUPACN-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1c(-c2ccccc2)noc1C)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-4-26(5-2)20(18-12-8-6-9-13-18)16-24-23(27)21-17(3)28-25-22(21)19-14-10-7-11-15-19/h6-15,20H,4-5,16H2,1-3H3,(H,24,27)
InChIKeyDLVSWVBCJJKOJA-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.46
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 18167064) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID18167064
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1c(-c2ccccc2)noc1C)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-4-26(5-2)20(18-12-8-6-9-13-18)16-24-23(27)21-17(3)28-25-22(21)19-14-10-7-11-15-19/h6-15,20H,4-5,16H2,1-3H3,(H,24,27)
InChIKeyDLVSWVBCJJKOJA-UHFFFAOYSA-N
XLogP4.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 111662479
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35997682
N-[2-(diethylamino)-2-phenylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18271681
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764534
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 18167064) is N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)C(CNC(=O)c1c(-c2ccccc2)noc1C)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DLVSWVBCJJKOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-26(5-2)20(18-12-8-6-9-13-18)16-24-23(27)21-17(3)28-25-22(21)19-14-10-7-11-15-19/h6-15,20H,4-5,16H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18167064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).