2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine

C12H16N4O2 — CID 81170070

IUPAC2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCc2ccon2)ccc1N
InChIInChI=1S/C12H16N4O2/c1-2-6-17-12-10(13)3-4-11(15-12)14-8-9-5-7-18-16-9/h3-5,7H,2,6,8,13H2,1H3,(H,14,15)
InChIKeyZPTDPHMWTONHAQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.05
Rot. Bonds6

About 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine

2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine (PubChem CID 81170070) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
PubChem CID81170070
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCc2ccon2)ccc1N
InChIInChI=1S/C12H16N4O2/c1-2-6-17-12-10(13)3-4-11(15-12)14-8-9-5-7-18-16-9/h3-5,7H,2,6,8,13H2,1H3,(H,14,15)
InChIKeyZPTDPHMWTONHAQ-UHFFFAOYSA-N
XLogP2.05
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 81173608
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 106393782
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
CID 43261097
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364
6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79224387
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine
CID 115989138
2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine
CID 81170745
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine (CID 81170070) is 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(NCc2ccon2)ccc1N.
What is the InChIKey of 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is ZPTDPHMWTONHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-6-17-12-10(13)3-4-11(15-12)14-8-9-5-7-18-16-9/h3-5,7H,2,6,8,13H2,1H3,(H,14,15).
What are the key properties of 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine?
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 248.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 81170070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).