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

C23H27N7O2 — CID 171637906

IUPAC5-(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
SMILESCNc1ncc(-c2c(C)noc2C)cc1NCc1ccc(OCCn2cc(C)nn2)cc1
InChIInChI=1S/C23H27N7O2/c1-15-14-30(29-27-15)9-10-31-20-7-5-18(6-8-20)12-25-21-11-19(13-26-23(21)24-4)22-16(2)28-32-17(22)3/h5-8,11,13-14,25H,9-10,12H2,1-4H3,(H,24,26)
InChIKeyMSZGBOZQGSCKJM-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.99
Rot. Bonds9

About 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

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 (PubChem CID 171637906) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID171637906
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name5-(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
SMILESCNc1ncc(-c2c(C)noc2C)cc1NCc1ccc(OCCn2cc(C)nn2)cc1
InChIInChI=1S/C23H27N7O2/c1-15-14-30(29-27-15)9-10-31-20-7-5-18(6-8-20)12-25-21-11-19(13-26-23(21)24-4)22-16(2)28-32-17(22)3/h5-8,11,13-14,25H,9-10,12H2,1-4H3,(H,24,26)
InChIKeyMSZGBOZQGSCKJM-UHFFFAOYSA-N
XLogP3.99
TPSA102.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine
CID 121384128
N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine
CID 167223981
2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine
CID 140824867
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70316585
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one
CID 121379049
4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile
CID 121379551
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one
CID 171638287
5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
CID 121379560
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
2-[3-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]phenoxy]-N-[2-[2-[2-[2-[3-methoxy-4-[3-[4-(methylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]phenoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;3-fluoro-1-methylpiperidine
CID 171638891

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncc(-c2c(C)noc2C)cc1NCc1ccc(OCCn2cc(C)nn2)cc1.
What is the InChIKey of 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?
The InChIKey is MSZGBOZQGSCKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-14-30(29-27-15)9-10-31-20-7-5-18(6-8-20)12-25-21-11-19(13-26-23(21)24-4)22-16(2)28-32-17(22)3/h5-8,11,13-14,25H,9-10,12H2,1-4H3,(H,24,26).
What are the key properties of 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?
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 has a molecular weight of 433.52 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171637906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).