3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one

C12H15N5O2 — CID 56876288

IUPAC3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1[nH]cnc1-c1nccn1CCN1CCOC1=O
InChIInChI=1S/C12H15N5O2/c1-9-10(15-8-14-9)11-13-2-3-16(11)4-5-17-6-7-19-12(17)18/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyDAPXSBCLSYERDZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.03
Rot. Bonds4

About 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 56876288) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID56876288
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1[nH]cnc1-c1nccn1CCN1CCOC1=O
InChIInChI=1S/C12H15N5O2/c1-9-10(15-8-14-9)11-13-2-3-16(11)4-5-17-6-7-19-12(17)18/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyDAPXSBCLSYERDZ-UHFFFAOYSA-N
XLogP1.03
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-ethyl-4-[(2'-ethyl-5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)methyl]pyrrolidin-2-one
CID 56866268
1-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]pyrrolidin-2-one
CID 56871323
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
3-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]-1,3-oxazinan-2-one
CID 56894736
1-[2-(1H-imidazol-1-yl)ethyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56760442
methyl 4-(1H-imidazol-2-yl)imidazole-1-carboxylate
CID 153927779
tert-butyl 4-(1H-imidazol-2-yl)imidazole-1-carboxylate
CID 154052016
ethyl 3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propanoate
CID 56875585
2'-ethyl-5'-methyl-1-(2-morpholin-4-ylethyl)-1H,3'H-2,4'-biimidazole
CID 56875881
1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
CID 56876502
1-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-5'-methyl-1H,3'H-2,4'-biimidazole
CID 70705219
7-[(2-butyl-1H-imidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 70717988

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 56876288) is 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one is Cc1[nH]cnc1-c1nccn1CCN1CCOC1=O.
What is the InChIKey of 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is DAPXSBCLSYERDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9-10(15-8-14-9)11-13-2-3-16(11)4-5-17-6-7-19-12(17)18/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56876288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).