N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C20H17FN4O3 — CID 75768951

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C20H17FN4O3/c21-15-6-2-1-5-13(15)11-25-12-14(10-22-25)23-19(26)9-18-20(27)24-16-7-3-4-8-17(16)28-18/h1-8,10,12,18H,9,11H2,(H,23,26)(H,24,27)
InChIKeyCWRNDHPTWDWKLK-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.80
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 75768951) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID75768951
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C20H17FN4O3/c21-15-6-2-1-5-13(15)11-25-12-14(10-22-25)23-19(26)9-18-20(27)24-16-7-3-4-8-17(16)28-18/h1-8,10,12,18H,9,11H2,(H,23,26)(H,24,27)
InChIKeyCWRNDHPTWDWKLK-UHFFFAOYSA-N
XLogP2.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
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CID 19399871
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
1-(2-fluorophenyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea
CID 9278321
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 40505300
1-(2-fluorophenyl)-3-[[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea
CID 9278323
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 126418195
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768927
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 75769095
N-(6-methyl-2-pyridinyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 75768951) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is O=C(CC1Oc2ccccc2NC1=O)Nc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is CWRNDHPTWDWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-15-6-2-1-5-13(15)11-25-12-14(10-22-25)23-19(26)9-18-20(27)24-16-7-3-4-8-17(16)28-18/h1-8,10,12,18H,9,11H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 380.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 75768951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).