N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide

C20H18N4O3 — CID 26288220

IUPACN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@H]1Oc2ccc(NC(=O)Cc3cnn(-c4ccccc4)c3)cc2NC1=O
InChIInChI=1S/C20H18N4O3/c1-13-20(26)23-17-10-15(7-8-18(17)27-13)22-19(25)9-14-11-21-24(12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyONFAGZKILSNMGG-CYBMUJFWSA-N
MW362.39 g/mol
LogP2.77
Rot. Bonds4

About N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 26288220) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID26288220
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@H]1Oc2ccc(NC(=O)Cc3cnn(-c4ccccc4)c3)cc2NC1=O
InChIInChI=1S/C20H18N4O3/c1-13-20(26)23-17-10-15(7-8-18(17)27-13)22-19(25)9-14-11-21-24(12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyONFAGZKILSNMGG-CYBMUJFWSA-N
XLogP2.77
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
CID 40686360
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9147970
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642
3-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylpyrazole-4-carboxamide
CID 41104750
N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide
CID 46628672

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 26288220) is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide is C[C@H]1Oc2ccc(NC(=O)Cc3cnn(-c4ccccc4)c3)cc2NC1=O.
What is the InChIKey of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is ONFAGZKILSNMGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-20(26)23-17-10-15(7-8-18(17)27-13)22-19(25)9-14-11-21-24(12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 26288220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).