3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide

C19H18FN3O3 — CID 97249445

IUPAC3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2=NO[C@H](C)C2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O3/c1-11-7-8-13(18(24)22-17-9-12(2)26-23-17)10-16(11)21-19(25)14-5-3-4-6-15(14)20/h3-8,10,12H,9H2,1-2H3,(H,21,25)(H,22,23,24)/t12-/m1/s1
InChIKeySVIAVWQRQRTXLW-GFCCVEGCSA-N
MW355.37 g/mol
LogP3.24
Rot. Bonds3

About 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide

3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide (PubChem CID 97249445) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
PubChem CID97249445
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2=NO[C@H](C)C2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O3/c1-11-7-8-13(18(24)22-17-9-12(2)26-23-17)10-16(11)21-19(25)14-5-3-4-6-15(14)20/h3-8,10,12H,9H2,1-2H3,(H,21,25)(H,22,23,24)/t12-/m1/s1
InChIKeySVIAVWQRQRTXLW-GFCCVEGCSA-N
XLogP3.24
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
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3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
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CID 55687960
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
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3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 78878150
methyl 2-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide (CID 97249445) is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide is Cc1ccc(C(=O)NC2=NO[C@H](C)C2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The InChIKey is SVIAVWQRQRTXLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-7-8-13(18(24)22-17-9-12(2)26-23-17)10-16(11)21-19(25)14-5-3-4-6-15(14)20/h3-8,10,12H,9H2,1-2H3,(H,21,25)(H,22,23,24)/t12-/m1/s1.
What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 97249445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).