N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C24H21N3O3 — CID 3309673

IUPACN-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc2ccccc2c1C=NNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C24H21N3O3/c1-3-29-21-14-13-17-9-7-8-12-19(17)20(21)15-25-26-24(28)22-16(2)30-27-23(22)18-10-5-4-6-11-18/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyAQEJLHRTADMZRX-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.97
Rot. Bonds6

About N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 3309673) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID3309673
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc2ccccc2c1C=NNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C24H21N3O3/c1-3-29-21-14-13-17-9-7-8-12-19(17)20(21)15-25-26-24(28)22-16(2)30-27-23(22)18-10-5-4-6-11-18/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyAQEJLHRTADMZRX-UHFFFAOYSA-N
XLogP4.97
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
[2-ethoxy-4-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 4230419
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 6874526
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 136757941
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 6895269
N-[(4-bromophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219034
N-[(Z)-furan-2-ylmethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5372739
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4143454
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
CID 6872223

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 3309673) is N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCOc1ccc2ccccc2c1C=NNC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is AQEJLHRTADMZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-3-29-21-14-13-17-9-7-8-12-19(17)20(21)15-25-26-24(28)22-16(2)30-27-23(22)18-10-5-4-6-11-18/h4-15H,3H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3309673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).