[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone

C19H20N4O2 — CID 136766072

IUPAC[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1noc(-c2cn[nH]c2C2CCCN2C(=O)c2ccccc2)c1C
InChIInChI=1S/C19H20N4O2/c1-12-13(2)22-25-18(12)15-11-20-21-17(15)16-9-6-10-23(16)19(24)14-7-4-3-5-8-14/h3-5,7-8,11,16H,6,9-10H2,1-2H3,(H,20,21)
InChIKeyXVGXWPSMBBSPGH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.66
Rot. Bonds3

About [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone

[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 136766072) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID136766072
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1noc(-c2cn[nH]c2C2CCCN2C(=O)c2ccccc2)c1C
InChIInChI=1S/C19H20N4O2/c1-12-13(2)22-25-18(12)15-11-20-21-17(15)16-9-6-10-23(16)19(24)14-7-4-3-5-8-14/h3-5,7-8,11,16H,6,9-10H2,1-2H3,(H,20,21)
InChIKeyXVGXWPSMBBSPGH-UHFFFAOYSA-N
XLogP3.66
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone (CID 136766072) is [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone is Cc1noc(-c2cn[nH]c2C2CCCN2C(=O)c2ccccc2)c1C.
What is the InChIKey of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is XVGXWPSMBBSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-13(2)22-25-18(12)15-11-20-21-17(15)16-9-6-10-23(16)19(24)14-7-4-3-5-8-14/h3-5,7-8,11,16H,6,9-10H2,1-2H3,(H,20,21).
What are the key properties of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 336.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 136766072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).