4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide

C10H13N5O2 — CID 67415024

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide
SMILESCc1noc(C)c1CNc1nc[nH]c1C(N)=O
InChIInChI=1S/C10H13N5O2/c1-5-7(6(2)17-15-5)3-12-10-8(9(11)16)13-4-14-10/h4,12H,3H2,1-2H3,(H2,11,16)(H,13,14)
InChIKeyIGMHCEZEMLASJI-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.73
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide (PubChem CID 67415024) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide
PubChem CID67415024
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide
SMILESCc1noc(C)c1CNc1nc[nH]c1C(N)=O
InChIInChI=1S/C10H13N5O2/c1-5-7(6(2)17-15-5)3-12-10-8(9(11)16)13-4-14-10/h4,12H,3H2,1-2H3,(H2,11,16)(H,13,14)
InChIKeyIGMHCEZEMLASJI-UHFFFAOYSA-N
XLogP0.73
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide (CID 67415024) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide is Cc1noc(C)c1CNc1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide?
The InChIKey is IGMHCEZEMLASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5-7(6(2)17-15-5)3-12-10-8(9(11)16)13-4-14-10/h4,12H,3H2,1-2H3,(H2,11,16)(H,13,14).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 67415024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).