[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C19H21N5O2 — CID 110130732

IUPAC[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1noc(C)c1-c1ccc(C2CCCN2C(=O)c2cnn(C)c2)nc1
InChIInChI=1S/C19H21N5O2/c1-12-18(13(2)26-22-12)14-6-7-16(20-9-14)17-5-4-8-24(17)19(25)15-10-21-23(3)11-15/h6-7,9-11,17H,4-5,8H2,1-3H3
InChIKeyMBSNJWHJVBCWNV-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.06
Rot. Bonds3

About [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110130732) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110130732
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1noc(C)c1-c1ccc(C2CCCN2C(=O)c2cnn(C)c2)nc1
InChIInChI=1S/C19H21N5O2/c1-12-18(13(2)26-22-12)14-6-7-16(20-9-14)17-5-4-8-24(17)19(25)15-10-21-23(3)11-15/h6-7,9-11,17H,4-5,8H2,1-3H3
InChIKeyMBSNJWHJVBCWNV-UHFFFAOYSA-N
XLogP3.06
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110130732) is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1noc(C)c1-c1ccc(C2CCCN2C(=O)c2cnn(C)c2)nc1.
What is the InChIKey of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is MBSNJWHJVBCWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-18(13(2)26-22-12)14-6-7-16(20-9-14)17-5-4-8-24(17)19(25)15-10-21-23(3)11-15/h6-7,9-11,17H,4-5,8H2,1-3H3.
What are the key properties of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110130732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).