1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

C18H25N5O2 — CID 122186922

IUPAC1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(NC(C)C)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C18H25N5O2/c1-11(2)20-18-19-10-15(16-9-12(3)22-25-16)17(21-18)14-5-7-23(8-6-14)13(4)24/h9-11,14H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyWRWSIXNHAIWMQZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 122186922) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID122186922
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(NC(C)C)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C18H25N5O2/c1-11(2)20-18-19-10-15(16-9-12(3)22-25-16)17(21-18)14-5-7-23(8-6-14)13(4)24/h9-11,14H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyWRWSIXNHAIWMQZ-UHFFFAOYSA-N
XLogP2.99
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 122186922) is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(NC(C)C)ncc2-c2cc(C)no2)CC1.
What is the InChIKey of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is WRWSIXNHAIWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(2)20-18-19-10-15(16-9-12(3)22-25-16)17(21-18)14-5-7-23(8-6-14)13(4)24/h9-11,14H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 122186922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).