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

C19H22N4O3 — CID 134367336

IUPACN-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3coc(C)n3)noc2C)cc1
InChIInChI=1S/C19H22N4O3/c1-5-23(6-2)15-9-7-14(8-10-15)21-19(24)17-12(3)26-22-18(17)16-11-25-13(4)20-16/h7-11H,5-6H2,1-4H3,(H,21,24)
InChIKeyFPULPSASIZNWKZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.04
Rot. Bonds6

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

N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide (PubChem CID 134367336) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide
PubChem CID134367336
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3coc(C)n3)noc2C)cc1
InChIInChI=1S/C19H22N4O3/c1-5-23(6-2)15-9-7-14(8-10-15)21-19(24)17-12(3)26-22-18(17)16-11-25-13(4)20-16/h7-11H,5-6H2,1-4H3,(H,21,24)
InChIKeyFPULPSASIZNWKZ-UHFFFAOYSA-N
XLogP4.04
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2811851
3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424770
3-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 30790659
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383889
N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 43066871
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9158633
N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)furan-3-carboxamide
CID 155524035

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide (CID 134367336) is N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2c(-c3coc(C)n3)noc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is FPULPSASIZNWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-5-23(6-2)15-9-7-14(8-10-15)21-19(24)17-12(3)26-22-18(17)16-11-25-13(4)20-16/h7-11H,5-6H2,1-4H3,(H,21,24).
What are the key properties of N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134367336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).