5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine

C19H19N5O — CID 140824867

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine
SMILES[C-]#[N+]c1ccc(C)c(Nc2cc(-c3c(C)noc3C)cnc2NC)c1
InChIInChI=1S/C19H19N5O/c1-11-6-7-15(20-4)9-16(11)23-17-8-14(10-22-19(17)21-5)18-12(2)24-25-13(18)3/h6-10,23H,1-3,5H3,(H,21,22)
InChIKeyLKSNCGLNRQHUPB-UHFFFAOYSA-N
MW333.40 g/mol
LogP5.00
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine (PubChem CID 140824867) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine
PubChem CID140824867
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine
SMILES[C-]#[N+]c1ccc(C)c(Nc2cc(-c3c(C)noc3C)cnc2NC)c1
InChIInChI=1S/C19H19N5O/c1-11-6-7-15(20-4)9-16(11)23-17-8-14(10-22-19(17)21-5)18-12(2)24-25-13(18)3/h6-10,23H,1-3,5H3,(H,21,22)
InChIKeyLKSNCGLNRQHUPB-UHFFFAOYSA-N
XLogP5.00
TPSA67.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
CID 155187782
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline
CID 155187671
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methyl-3-N-[[4-[2-(4-methyltriazol-1-yl)ethoxy]phenyl]methyl]pyridine-2,3-diamine
CID 171637906
2-N-(4-tert-butylphenyl)-5-isocyano-3-N-(2-methylphenyl)pyridine-2,3-diamine
CID 140794388
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole
CID 130383084
6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine
CID 118980517
3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine
CID 121384128

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine (CID 140824867) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine is [C-]#[N+]c1ccc(C)c(Nc2cc(-c3c(C)noc3C)cnc2NC)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine?
The InChIKey is LKSNCGLNRQHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-11-6-7-15(20-4)9-16(11)23-17-8-14(10-22-19(17)21-5)18-12(2)24-25-13(18)3/h6-10,23H,1-3,5H3,(H,21,22).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine has a molecular weight of 333.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 140824867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).