N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C19H22FN5O2 — CID 126779134

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C19H22FN5O2/c1-11(2)25(5)16-7-6-14(8-15(16)20)22-18(26)17-12(3)27-19(23-17)13-9-21-24(4)10-13/h6-11H,1-5H3,(H,22,26)
InChIKeyUDLPRDHEDHXPOA-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.62
Rot. Bonds5

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 126779134) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID126779134
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C19H22FN5O2/c1-11(2)25(5)16-7-6-14(8-15(16)20)22-18(26)17-12(3)27-19(23-17)13-9-21-24(4)10-13/h6-11H,1-5H3,(H,22,26)
InChIKeyUDLPRDHEDHXPOA-UHFFFAOYSA-N
XLogP3.62
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 126779134) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is UDLPRDHEDHXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-11(2)25(5)16-7-6-14(8-15(16)20)22-18(26)17-12(3)27-19(23-17)13-9-21-24(4)10-13/h6-11H,1-5H3,(H,22,26).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126779134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).