N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide

C14H20N4O3 — CID 70755061

IUPACN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CCO)Cc2nccn2C)no1
InChIInChI=1S/C14H20N4O3/c1-3-4-11-9-12(16-21-11)14(20)18(7-8-19)10-13-15-5-6-17(13)2/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyRFOTZHJHKRFIFL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.00
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 70755061) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID70755061
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CCO)Cc2nccn2C)no1
InChIInChI=1S/C14H20N4O3/c1-3-4-11-9-12(16-21-11)14(20)18(7-8-19)10-13-15-5-6-17(13)2/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyRFOTZHJHKRFIFL-UHFFFAOYSA-N
XLogP1.00
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 70755061) is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)N(CCO)Cc2nccn2C)no1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is RFOTZHJHKRFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-4-11-9-12(16-21-11)14(20)18(7-8-19)10-13-15-5-6-17(13)2/h5-6,9,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70755061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).