N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H16N4O3 — CID 135117198

IUPACN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCO)Cc2ncc[nH]2)o1
InChIInChI=1S/C12H16N4O3/c1-8-11(19-9(2)15-8)12(18)16(5-6-17)7-10-13-3-4-14-10/h3-4,17H,5-7H2,1-2H3,(H,13,14)
InChIKeyRRQKUKBVPNBOBV-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.65
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 135117198) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID135117198
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCO)Cc2ncc[nH]2)o1
InChIInChI=1S/C12H16N4O3/c1-8-11(19-9(2)15-8)12(18)16(5-6-17)7-10-13-3-4-14-10/h3-4,17H,5-7H2,1-2H3,(H,13,14)
InChIKeyRRQKUKBVPNBOBV-UHFFFAOYSA-N
XLogP0.65
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 135117198) is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CCO)Cc2ncc[nH]2)o1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is RRQKUKBVPNBOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-11(19-9(2)15-8)12(18)16(5-6-17)7-10-13-3-4-14-10/h3-4,17H,5-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 135117198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).