1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one

C20H17N5O3 — CID 97400124

IUPAC1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C(c1ccno1)N1CCC2(CC1)C(=O)N(c1cncnc1)c1ccccc12
InChIInChI=1S/C20H17N5O3/c26-18(17-5-8-23-28-17)24-9-6-20(7-10-24)15-3-1-2-4-16(15)25(19(20)27)14-11-21-13-22-12-14/h1-5,8,11-13H,6-7,9-10H2
InChIKeyYUWAVXNYNLNQKT-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.32
Rot. Bonds2

About 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one

1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 97400124) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID97400124
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C(c1ccno1)N1CCC2(CC1)C(=O)N(c1cncnc1)c1ccccc12
InChIInChI=1S/C20H17N5O3/c26-18(17-5-8-23-28-17)24-9-6-20(7-10-24)15-3-1-2-4-16(15)25(19(20)27)14-11-21-13-22-12-14/h1-5,8,11-13H,6-7,9-10H2
InChIKeyYUWAVXNYNLNQKT-UHFFFAOYSA-N
XLogP2.32
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one (CID 97400124) is 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one is O=C(c1ccno1)N1CCC2(CC1)C(=O)N(c1cncnc1)c1ccccc12.
What is the InChIKey of 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is YUWAVXNYNLNQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-18(17-5-8-23-28-17)24-9-6-20(7-10-24)15-3-1-2-4-16(15)25(19(20)27)14-11-21-13-22-12-14/h1-5,8,11-13H,6-7,9-10H2.
What are the key properties of 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one?
1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 375.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97400124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).