4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide

C21H24N4O2 — CID 11371968

IUPAC4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide
SMILESCc1ccc(NC(=O)CCC(C)C)cc1Nc1ncc(-c2cccnc2)o1
InChIInChI=1S/C21H24N4O2/c1-14(2)6-9-20(26)24-17-8-7-15(3)18(11-17)25-21-23-13-19(27-21)16-5-4-10-22-12-16/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyTXHCAUUNNPYFJD-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.16
Rot. Bonds7

About 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide

4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide (PubChem CID 11371968) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide
PubChem CID11371968
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide
SMILESCc1ccc(NC(=O)CCC(C)C)cc1Nc1ncc(-c2cccnc2)o1
InChIInChI=1S/C21H24N4O2/c1-14(2)6-9-20(26)24-17-8-7-15(3)18(11-17)25-21-23-13-19(27-21)16-5-4-10-22-12-16/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyTXHCAUUNNPYFJD-UHFFFAOYSA-N
XLogP5.16
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide?
The IUPAC name of 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide (CID 11371968) is 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide?
The canonical SMILES for 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide is Cc1ccc(NC(=O)CCC(C)C)cc1Nc1ncc(-c2cccnc2)o1.
What is the InChIKey of 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide?
The InChIKey is TXHCAUUNNPYFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)6-9-20(26)24-17-8-7-15(3)18(11-17)25-21-23-13-19(27-21)16-5-4-10-22-12-16/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide?
4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide has a molecular weight of 364.45 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide is sourced from PubChem (CID 11371968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).