5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine

C17H18ClN5O2 — CID 67325681

IUPAC5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine
SMILESCOCCCNc1ncc(-c2cccc(Nc3ccc(Cl)cn3)n2)o1
InChIInChI=1S/C17H18ClN5O2/c1-24-9-3-8-19-17-21-11-14(25-17)13-4-2-5-16(22-13)23-15-7-6-12(18)10-20-15/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyCUEGBGATQLDYGZ-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.98
Rot. Bonds8

About 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine

5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine (PubChem CID 67325681) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine
PubChem CID67325681
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine
SMILESCOCCCNc1ncc(-c2cccc(Nc3ccc(Cl)cn3)n2)o1
InChIInChI=1S/C17H18ClN5O2/c1-24-9-3-8-19-17-21-11-14(25-17)13-4-2-5-16(22-13)23-15-7-6-12(18)10-20-15/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyCUEGBGATQLDYGZ-UHFFFAOYSA-N
XLogP3.98
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine with MolForge

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Related Compounds

6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine
CID 53311489
6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 80647839
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
CID 79021479
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
2-N-(3-chlorophenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935202
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911795
5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine
CID 91087280
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210203
1-(5-chloro-2-pyridinyl)-3-(2-methoxyethyl)thiourea
CID 19686299

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine (CID 67325681) is 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine is COCCCNc1ncc(-c2cccc(Nc3ccc(Cl)cn3)n2)o1.
What is the InChIKey of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine?
The InChIKey is CUEGBGATQLDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-24-9-3-8-19-17-21-11-14(25-17)13-4-2-5-16(22-13)23-15-7-6-12(18)10-20-15/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine?
5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine has a molecular weight of 359.82 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(3-methoxypropyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 67325681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).