4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C19H24N4O3 — CID 110217931

IUPAC4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1noc(C)c1C(=O)N1CCCC(c2c(C)c(=O)nc3n2CCC3)C1
InChIInChI=1S/C19H24N4O3/c1-11-17(23-9-5-7-15(23)20-18(11)24)14-6-4-8-22(10-14)19(25)16-12(2)21-26-13(16)3/h14H,4-10H2,1-3H3
InChIKeyLWWKDBWXMDKMPT-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.12
Rot. Bonds2

About 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 110217931) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID110217931
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1noc(C)c1C(=O)N1CCCC(c2c(C)c(=O)nc3n2CCC3)C1
InChIInChI=1S/C19H24N4O3/c1-11-17(23-9-5-7-15(23)20-18(11)24)14-6-4-8-22(10-14)19(25)16-12(2)21-26-13(16)3/h14H,4-10H2,1-3H3
InChIKeyLWWKDBWXMDKMPT-UHFFFAOYSA-N
XLogP2.12
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 110217931) is 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is Cc1noc(C)c1C(=O)N1CCCC(c2c(C)c(=O)nc3n2CCC3)C1.
What is the InChIKey of 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is LWWKDBWXMDKMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-17(23-9-5-7-15(23)20-18(11)24)14-6-4-8-22(10-14)19(25)16-12(2)21-26-13(16)3/h14H,4-10H2,1-3H3.
What are the key properties of 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 110217931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).