(2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone

C17H18N4O2 — CID 110258474

IUPAC(2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(Cc3cnc4[nH]ccc4c3)C2)co1
InChIInChI=1S/C17H18N4O2/c1-11-20-15(10-23-11)17(22)21-5-3-12(9-21)6-13-7-14-2-4-18-16(14)19-8-13/h2,4,7-8,10,12H,3,5-6,9H2,1H3,(H,18,19)
InChIKeyIVPNMYNOULPCKQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.56
Rot. Bonds3

About (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone

(2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 110258474) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID110258474
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(Cc3cnc4[nH]ccc4c3)C2)co1
InChIInChI=1S/C17H18N4O2/c1-11-20-15(10-23-11)17(22)21-5-3-12(9-21)6-13-7-14-2-4-18-16(14)19-8-13/h2,4,7-8,10,12H,3,5-6,9H2,1H3,(H,18,19)
InChIKeyIVPNMYNOULPCKQ-UHFFFAOYSA-N
XLogP2.56
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone (CID 110258474) is (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone is Cc1nc(C(=O)N2CCC(Cc3cnc4[nH]ccc4c3)C2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IVPNMYNOULPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-20-15(10-23-11)17(22)21-5-3-12(9-21)6-13-7-14-2-4-18-16(14)19-8-13/h2,4,7-8,10,12H,3,5-6,9H2,1H3,(H,18,19).
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
(2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110258474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).