N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide

C18H18FN5O3 — CID 146220658

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(N2CCOCC2)on1
InChIInChI=1S/C18H18FN5O3/c19-14-3-1-2-13(8-14)11-24-12-15(10-20-24)21-18(25)16-9-17(27-22-16)23-4-6-26-7-5-23/h1-3,8-10,12H,4-7,11H2,(H,21,25)
InChIKeyAFYBAPPGUZIPDM-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.15
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 146220658) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID146220658
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(N2CCOCC2)on1
InChIInChI=1S/C18H18FN5O3/c19-14-3-1-2-13(8-14)11-24-12-15(10-20-24)21-18(25)16-9-17(27-22-16)23-4-6-26-7-5-23/h1-3,8-10,12H,4-7,11H2,(H,21,25)
InChIKeyAFYBAPPGUZIPDM-UHFFFAOYSA-N
XLogP2.15
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide
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(E)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylprop-2-enamide
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US11306078, Example 4.043
CID 141677999

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide (CID 146220658) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(N2CCOCC2)on1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is AFYBAPPGUZIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c19-14-3-1-2-13(8-14)11-24-12-15(10-20-24)21-18(25)16-9-17(27-22-16)23-4-6-26-7-5-23/h1-3,8-10,12H,4-7,11H2,(H,21,25).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).