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

C11H13N3O3 — CID 127398487

IUPACN,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ocnc2C)no1
InChIInChI=1S/C11H13N3O3/c1-7-4-9(13-17-7)5-14(3)11(15)10-8(2)12-6-16-10/h4,6H,5H2,1-3H3
InChIKeyYTXRFKQOFRPNBE-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.55
Rot. Bonds3

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

N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 127398487) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID127398487
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ocnc2C)no1
InChIInChI=1S/C11H13N3O3/c1-7-4-9(13-17-7)5-14(3)11(15)10-8(2)12-6-16-10/h4,6H,5H2,1-3H3
InChIKeyYTXRFKQOFRPNBE-UHFFFAOYSA-N
XLogP1.55
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide (CID 127398487) is N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide is Cc1cc(CN(C)C(=O)c2ocnc2C)no1.
What is the InChIKey of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is YTXRFKQOFRPNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-4-9(13-17-7)5-14(3)11(15)10-8(2)12-6-16-10/h4,6H,5H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide?
N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 127398487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).