5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide

C13H18N4O2 — CID 53195257

IUPAC5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1nc(C(C)C)oc1C
InChIInChI=1S/C13H18N4O2/c1-7(2)13-16-11(9(4)19-13)12(18)14-5-10-6-15-17-8(10)3/h6-7H,5H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyJJHMLAWQFHCORB-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.07
Rot. Bonds4

About 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide

5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 53195257) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID53195257
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1nc(C(C)C)oc1C
InChIInChI=1S/C13H18N4O2/c1-7(2)13-16-11(9(4)19-13)12(18)14-5-10-6-15-17-8(10)3/h6-7H,5H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyJJHMLAWQFHCORB-UHFFFAOYSA-N
XLogP2.07
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 53195257) is 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1[nH]ncc1CNC(=O)c1nc(C(C)C)oc1C.
What is the InChIKey of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is JJHMLAWQFHCORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-7(2)13-16-11(9(4)19-13)12(18)14-5-10-6-15-17-8(10)3/h6-7H,5H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).