N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C18H25N3O2 — CID 75459780

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C18H25N3O2/c1-12(2)17-16(13(3)20-23-17)18(22)19-11-15(21(4)5)14-9-7-6-8-10-14/h6-10,12,15H,11H2,1-5H3,(H,19,22)
InChIKeyVWJXVLKRXIRYLH-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 75459780) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID75459780
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C18H25N3O2/c1-12(2)17-16(13(3)20-23-17)18(22)19-11-15(21(4)5)14-9-7-6-8-10-14/h6-10,12,15H,11H2,1-5H3,(H,19,22)
InChIKeyVWJXVLKRXIRYLH-UHFFFAOYSA-N
XLogP3.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 95593417
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39209724
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97313575
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314529
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(dimethylamino)-2-phenylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 84603506

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 75459780) is N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is VWJXVLKRXIRYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)17-16(13(3)20-23-17)18(22)19-11-15(21(4)5)14-9-7-6-8-10-14/h6-10,12,15H,11H2,1-5H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75459780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).