N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide

C15H20N4O2 — CID 91923957

IUPACN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C15H20N4O2/c1-10-7-17-13(19(10)8-12-3-4-12)5-6-16-15(20)14-11(2)18-9-21-14/h7,9,12H,3-6,8H2,1-2H3,(H,16,20)
InChIKeyATSJEEOLUQMDEY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.87
Rot. Bonds6

About N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 91923957) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID91923957
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C15H20N4O2/c1-10-7-17-13(19(10)8-12-3-4-12)5-6-16-15(20)14-11(2)18-9-21-14/h7,9,12H,3-6,8H2,1-2H3,(H,16,20)
InChIKeyATSJEEOLUQMDEY-UHFFFAOYSA-N
XLogP1.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 91923957) is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCCc1ncc(C)n1CC1CC1.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ATSJEEOLUQMDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-7-17-13(19(10)8-12-3-4-12)5-6-16-15(20)14-11(2)18-9-21-14/h7,9,12H,3-6,8H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91923957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).