4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

C14H14N4O2 — CID 103119565

IUPAC4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3ccn(C)n3)noc2N)c1
InChIInChI=1S/C14H14N4O2/c1-18-7-6-11(16-18)13-12(14(15)20-17-13)9-4-3-5-10(8-9)19-2/h3-8H,15H2,1-2H3
InChIKeyBCBKGOMOYUNMQI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.33
Rot. Bonds3

About 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (PubChem CID 103119565) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
PubChem CID103119565
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3ccn(C)n3)noc2N)c1
InChIInChI=1S/C14H14N4O2/c1-18-7-6-11(16-18)13-12(14(15)20-17-13)9-4-3-5-10(8-9)19-2/h3-8H,15H2,1-2H3
InChIKeyBCBKGOMOYUNMQI-UHFFFAOYSA-N
XLogP2.33
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263311
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 154844159
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
4-(3-methoxyphenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 61262192

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (CID 103119565) is 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is COc1cccc(-c2c(-c3ccn(C)n3)noc2N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The InChIKey is BCBKGOMOYUNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-7-6-11(16-18)13-12(14(15)20-17-13)9-4-3-5-10(8-9)19-2/h3-8H,15H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine has a molecular weight of 270.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103119565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).