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

C20H21N3O3 — CID 46093958

IUPACN-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(C)c2C(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-18(19(26-23-13)15-5-9-17(25-2)10-6-15)20(24)22-12-11-14-3-7-16(21)8-4-14/h3-10H,11-12,21H2,1-2H3,(H,22,24)
InChIKeyHEUPFEDBJAJNOK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.21
Rot. Bonds6

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

N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46093958) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46093958
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(C)c2C(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-18(19(26-23-13)15-5-9-17(25-2)10-6-15)20(24)22-12-11-14-3-7-16(21)8-4-14/h3-10H,11-12,21H2,1-2H3,(H,22,24)
InChIKeyHEUPFEDBJAJNOK-UHFFFAOYSA-N
XLogP3.21
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965
N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46093945
5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 91198346
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110677065
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 46097417
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 63237842
5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097261
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 46093958) is N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is COc1ccc(-c2onc(C)c2C(=O)NCCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HEUPFEDBJAJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-18(19(26-23-13)15-5-9-17(25-2)10-6-15)20(24)22-12-11-14-3-7-16(21)8-4-14/h3-10H,11-12,21H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).