methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate

C25H24N4O4 — CID 162671697

IUPACmethyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate
SMILESCOC(=O)NC/C=C\c1nc(C(=O)Nc2cccc3c2ccn3Cc2cccc(C)c2)co1
InChIInChI=1S/C25H24N4O4/c1-17-6-3-7-18(14-17)15-29-13-11-19-20(8-4-9-22(19)29)28-24(30)21-16-33-23(27-21)10-5-12-26-25(31)32-2/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,31)(H,28,30)/b10-5-
InChIKeyRQLDXPOIULYYBH-YHYXMXQVSA-N
MW444.49 g/mol
LogP4.61
Rot. Bonds7

About methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate

methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate (PubChem CID 162671697) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate
PubChem CID162671697
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Namemethyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate
SMILESCOC(=O)NC/C=C\c1nc(C(=O)Nc2cccc3c2ccn3Cc2cccc(C)c2)co1
InChIInChI=1S/C25H24N4O4/c1-17-6-3-7-18(14-17)15-29-13-11-19-20(8-4-9-22(19)29)28-24(30)21-16-33-23(27-21)10-5-12-26-25(31)32-2/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,31)(H,28,30)/b10-5-
InChIKeyRQLDXPOIULYYBH-YHYXMXQVSA-N
XLogP4.61
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate?
The IUPAC name of methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate (CID 162671697) is methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate.
What is the SMILES notation for methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate?
The canonical SMILES for methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate is COC(=O)NC/C=C\c1nc(C(=O)Nc2cccc3c2ccn3Cc2cccc(C)c2)co1.
What is the InChIKey of methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate?
The InChIKey is RQLDXPOIULYYBH-YHYXMXQVSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-17-6-3-7-18(14-17)15-29-13-11-19-20(8-4-9-22(19)29)28-24(30)21-16-33-23(27-21)10-5-12-26-25(31)32-2/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,31)(H,28,30)/b10-5-.
What are the key properties of methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate?
methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate has a molecular weight of 444.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-3-[4-[[1-[(3-methylphenyl)methyl]indol-4-yl]carbamoyl]-1,3-oxazol-2-yl]prop-2-enyl]carbamate is sourced from PubChem (CID 162671697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).