N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide

C20H20N6O3 — CID 136517757

IUPACN-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cn2cc(C)cn2)on1
InChIInChI=1S/C20H20N6O3/c1-3-25(12-18-22-16-7-5-4-6-15(16)19(27)23-18)20(28)17-8-14(29-24-17)11-26-10-13(2)9-21-26/h4-10H,3,11-12H2,1-2H3,(H,22,23,27)
InChIKeyYYNATRLSVNTRPL-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.13
Rot. Bonds6

About N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 136517757) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID136517757
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cn2cc(C)cn2)on1
InChIInChI=1S/C20H20N6O3/c1-3-25(12-18-22-16-7-5-4-6-15(16)19(27)23-18)20(28)17-8-14(29-24-17)11-26-10-13(2)9-21-26/h4-10H,3,11-12H2,1-2H3,(H,22,23,27)
InChIKeyYYNATRLSVNTRPL-UHFFFAOYSA-N
XLogP2.13
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135900604
N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 137287070
N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 137296733
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 135667533
5-bromo-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135893606
N,5-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135896382
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135821016
N-ethyl-1,3,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazole-4-carboxamide
CID 137282497
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 137281094
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
2-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135821189

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 136517757) is N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cn2cc(C)cn2)on1.
What is the InChIKey of N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YYNATRLSVNTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-3-25(12-18-22-16-7-5-4-6-15(16)19(27)23-18)20(28)17-8-14(29-24-17)11-26-10-13(2)9-21-26/h4-10H,3,11-12H2,1-2H3,(H,22,23,27).
What are the key properties of N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 136517757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).