5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

C14H17N3O2 — CID 53195196

IUPAC5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCc1ccncc1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-17-12(10(3)19-14)13(18)16-8-11-4-6-15-7-5-11/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyXOELOPAMWCTOMJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds4

About 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195196) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID53195196
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCc1ccncc1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-17-12(10(3)19-14)13(18)16-8-11-4-6-15-7-5-11/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyXOELOPAMWCTOMJ-UHFFFAOYSA-N
XLogP2.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 53195196) is 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NCc1ccncc1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XOELOPAMWCTOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)14-17-12(10(3)19-14)13(18)16-8-11-4-6-15-7-5-11/h4-7,9H,8H2,1-3H3,(H,16,18).
What are the key properties of 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).