N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide

C22H22FN5O3 — CID 118337011

IUPACN-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCC1CN(c2cc(CF)cc(C(=O)Nc3cccc(NC(=O)c4ccno4)c3)c2)CN1
InChIInChI=1S/C22H22FN5O3/c1-14-12-28(13-24-14)19-8-15(11-23)7-16(9-19)21(29)26-17-3-2-4-18(10-17)27-22(30)20-5-6-25-31-20/h2-10,14,24H,11-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyOTWGNLNCWBSGBX-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.40
Rot. Bonds6

About N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide

N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 118337011) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID118337011
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC NameN-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCC1CN(c2cc(CF)cc(C(=O)Nc3cccc(NC(=O)c4ccno4)c3)c2)CN1
InChIInChI=1S/C22H22FN5O3/c1-14-12-28(13-24-14)19-8-15(11-23)7-16(9-19)21(29)26-17-3-2-4-18(10-17)27-22(30)20-5-6-25-31-20/h2-10,14,24H,11-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyOTWGNLNCWBSGBX-UHFFFAOYSA-N
XLogP3.40
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide (CID 118337011) is N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide is CC1CN(c2cc(CF)cc(C(=O)Nc3cccc(NC(=O)c4ccno4)c3)c2)CN1.
What is the InChIKey of N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OTWGNLNCWBSGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-14-12-28(13-24-14)19-8-15(11-23)7-16(9-19)21(29)26-17-3-2-4-18(10-17)27-22(30)20-5-6-25-31-20/h2-10,14,24H,11-13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118337011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).