N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide

C13H18N4O2 — CID 71835833

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2cn(C)nc2C)c(C)o1
InChIInChI=1S/C13H18N4O2/c1-8-11(7-17(5)15-8)6-16(4)13(18)12-9(2)19-10(3)14-12/h7H,6H2,1-5H3
InChIKeyPFUXICPEKPVHHB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.61
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71835833) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71835833
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2cn(C)nc2C)c(C)o1
InChIInChI=1S/C13H18N4O2/c1-8-11(7-17(5)15-8)6-16(4)13(18)12-9(2)19-10(3)14-12/h7H,6H2,1-5H3
InChIKeyPFUXICPEKPVHHB-UHFFFAOYSA-N
XLogP1.61
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71835833) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)N(C)Cc2cn(C)nc2C)c(C)o1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is PFUXICPEKPVHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-11(7-17(5)15-8)6-16(4)13(18)12-9(2)19-10(3)14-12/h7H,6H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71835833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).