3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide

C28H26FN5O2 — CID 42632763

IUPAC3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(c4cccc(-n5cccn5)n4)C3)c2)c(F)c1
InChIInChI=1S/C28H26FN5O2/c1-17(2)31-28(35)21-14-19(22-9-8-18(3)12-23(22)29)13-20(15-21)25-16-26(36-33-25)24-6-4-7-27(32-24)34-11-5-10-30-34/h4-15,17,26H,16H2,1-3H3,(H,31,35)
InChIKeyZGGHNRVFXCYPDU-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.39
Rot. Bonds6

About 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide

3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide (PubChem CID 42632763) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide
PubChem CID42632763
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(c4cccc(-n5cccn5)n4)C3)c2)c(F)c1
InChIInChI=1S/C28H26FN5O2/c1-17(2)31-28(35)21-14-19(22-9-8-18(3)12-23(22)29)13-20(15-21)25-16-26(36-33-25)24-6-4-7-27(32-24)34-11-5-10-30-34/h4-15,17,26H,16H2,1-3H3,(H,31,35)
InChIKeyZGGHNRVFXCYPDU-UHFFFAOYSA-N
XLogP5.39
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide (CID 42632763) is 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide is Cc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(c4cccc(-n5cccn5)n4)C3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The InChIKey is ZGGHNRVFXCYPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-17(2)31-28(35)21-14-19(22-9-8-18(3)12-23(22)29)13-20(15-21)25-16-26(36-33-25)24-6-4-7-27(32-24)34-11-5-10-30-34/h4-15,17,26H,16H2,1-3H3,(H,31,35).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide has a molecular weight of 483.55 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 42632763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).