N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C21H20N4O3 — CID 134036770

IUPACN-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cnn(-c2ccccc2)c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H20N4O3/c1-15(25-18-10-6-7-11-19(18)28-21(25)27)20(26)23(2)13-16-12-22-24(14-16)17-8-4-3-5-9-17/h3-12,14-15H,13H2,1-2H3
InChIKeyZNYOGFPFAIMZDP-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.00
Rot. Bonds5

About N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 134036770) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID134036770
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cnn(-c2ccccc2)c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H20N4O3/c1-15(25-18-10-6-7-11-19(18)28-21(25)27)20(26)23(2)13-16-12-22-24(14-16)17-8-4-3-5-9-17/h3-12,14-15H,13H2,1-2H3
InChIKeyZNYOGFPFAIMZDP-UHFFFAOYSA-N
XLogP3.00
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134037136
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
2-butylsulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 134037922
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N-[3-methyl-1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51237828
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 51237834
N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 55429046
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 134036770) is N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is CC(C(=O)N(C)Cc1cnn(-c2ccccc2)c1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is ZNYOGFPFAIMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-15(25-18-10-6-7-11-19(18)28-21(25)27)20(26)23(2)13-16-12-22-24(14-16)17-8-4-3-5-9-17/h3-12,14-15H,13H2,1-2H3.
What are the key properties of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 376.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 134036770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).