N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H23N3O3 — CID 17447053

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2c(C)noc2C)N(C)C)cc1
InChIInChI=1S/C17H23N3O3/c1-11-16(12(2)23-19-11)17(21)18-10-15(20(3)4)13-6-8-14(22-5)9-7-13/h6-9,15H,10H2,1-5H3,(H,18,21)
InChIKeyNSCXPRTVFKEJLV-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 17447053) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID17447053
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2c(C)noc2C)N(C)C)cc1
InChIInChI=1S/C17H23N3O3/c1-11-16(12(2)23-19-11)17(21)18-10-15(20(3)4)13-6-8-14(22-5)9-7-13/h6-9,15H,10H2,1-5H3,(H,18,21)
InChIKeyNSCXPRTVFKEJLV-UHFFFAOYSA-N
XLogP2.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 17447053) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1ccc(C(CNC(=O)c2c(C)noc2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is NSCXPRTVFKEJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-16(12(2)23-19-11)17(21)18-10-15(20(3)4)13-6-8-14(22-5)9-7-13/h6-9,15H,10H2,1-5H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17447053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).