4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine

C27H34ClN5O — CID 174365145

IUPAC4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine
SMILESCCNC1=CCC(NCC)(c2nc(C3(NC)C=CC(NC)=CC3)c(-c3ccccc3Cl)o2)C=C1
InChIInChI=1S/C27H34ClN5O/c1-5-31-20-13-17-27(18-14-20,32-6-2)25-33-24(23(34-25)21-9-7-8-10-22(21)28)26(30-4)15-11-19(29-3)12-16-26/h7-15,17,29-32H,5-6,16,18H2,1-4H3
InChIKeyJEOMDARMPWKZNH-UHFFFAOYSA-N
MW480.06 g/mol
LogP4.73
Rot. Bonds9

About 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine

4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 174365145) has the molecular formula C27H34ClN5O and a molecular weight of 480.06 g/mol. Its IUPAC name is 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine
PubChem CID174365145
Molecular FormulaC27H34ClN5O
Molecular Weight480.06 g/mol
Exact Mass479.25
IUPAC Name4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine
SMILESCCNC1=CCC(NCC)(c2nc(C3(NC)C=CC(NC)=CC3)c(-c3ccccc3Cl)o2)C=C1
InChIInChI=1S/C27H34ClN5O/c1-5-31-20-13-17-27(18-14-20,32-6-2)25-33-24(23(34-25)21-9-7-8-10-22(21)28)26(30-4)15-11-19(29-3)12-16-26/h7-15,17,29-32H,5-6,16,18H2,1-4H3
InChIKeyJEOMDARMPWKZNH-UHFFFAOYSA-N
XLogP4.73
TPSA74.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.06
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine (CID 174365145) is 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine is CCNC1=CCC(NCC)(c2nc(C3(NC)C=CC(NC)=CC3)c(-c3ccccc3Cl)o2)C=C1.
What is the InChIKey of 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is JEOMDARMPWKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O/c1-5-31-20-13-17-27(18-14-20,32-6-2)25-33-24(23(34-25)21-9-7-8-10-22(21)28)26(30-4)15-11-19(29-3)12-16-26/h7-15,17,29-32H,5-6,16,18H2,1-4H3.
What are the key properties of 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 480.06 g/mol, XLogP of 4.73, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1,4-bis(ethylamino)cyclohexa-2,4-dien-1-yl]-5-(2-chlorophenyl)-1,3-oxazol-4-yl]-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 174365145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).