(5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone

C14H14N4O3 — CID 146095430

IUPAC(5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CC=C(N)N2)cc1
InChIInChI=1S/C14H14N4O3/c1-20-10-4-2-9(3-5-10)13-12(16-8-21-13)14(19)18-7-6-11(15)17-18/h2-6,8,17H,7,15H2,1H3
InChIKeyVKNXJEHTZICMOW-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.11
Rot. Bonds3

About (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone

(5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 146095430) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
PubChem CID146095430
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name(5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CC=C(N)N2)cc1
InChIInChI=1S/C14H14N4O3/c1-20-10-4-2-9(3-5-10)13-12(16-8-21-13)14(19)18-7-6-11(15)17-18/h2-6,8,17H,7,15H2,1H3
InChIKeyVKNXJEHTZICMOW-UHFFFAOYSA-N
XLogP1.11
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone (CID 146095430) is (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone is COc1ccc(-c2ocnc2C(=O)N2CC=C(N)N2)cc1.
What is the InChIKey of (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is VKNXJEHTZICMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-20-10-4-2-9(3-5-10)13-12(16-8-21-13)14(19)18-7-6-11(15)17-18/h2-6,8,17H,7,15H2,1H3.
What are the key properties of (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
(5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 286.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 146095430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).